matter.farm

Computer-generated molecule database for public drug discovery. About this project.

These compounds may interact with:

Gamma-aminobutyric acid receptor subunit alpha-3

Potentially involved in: carcinoma; mucopolysaccharidosis ii; reflex sympathetic dystrophy; centronuclear myopathy; bipolar disorder; autistic disorder; constipation; mental depression; depressive disorder; graves disease; hyperhidrosis disorder; muscle cramp; obesity; palpitations; quadriplegia; rhabdomyolysis; sweating; tremor; urinary retention; hypomagnesemia

Disease data sourced from Pharos.

Antagonist

FORMULA:C23H20FN5O

SMILES: Fc1ccc(-c2nnc3n2N[C@@]24C=C[C@@H](CC2)CC4=C3OCc2ccccn2)cc1

BIRTHDAY: 2018-12-01T14:10:19.709940
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C18H16FN7O

SMILES: Cn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C1CC1

BIRTHDAY: 2018-12-01T14:10:19.720011
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C23H26FN5O4

SMILES: O=C(Nc1cn[nH]c1C(=O)N1CCCC[C@@]12CCCCN2)c1cc(F)c2c(c1)OC=COC2

BIRTHDAY: 2018-12-01T14:10:19.730944
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C19H12F4N2O

SMILES: O=C(Nc1cccc(C(F)(F)F)c1)c1cncc(-c2ccccc2F)c1

BIRTHDAY: 2018-12-01T14:10:19.739691
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H27FN2O6

SMILES: CCCCCCCOC(=O)C1=C(C(=O)OC)[C@H](C#N)C(C(=O)OC)=C(c2ccc(F)cc2)N1

BIRTHDAY: 2018-12-01T14:10:19.749943
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C17H17FN8O

SMILES: Nc1nc(CO[C@]23NC(c4ccc(F)cc4)=NN2N=CC=C3C2CC2)n[nH]1

BIRTHDAY: 2018-12-01T14:10:19.760457
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C13H18BN5O4

SMILES: Cn1ncnc1C1=C(C(=O)NCC(=O)N2CCOCC2)COB1

BIRTHDAY: 2018-12-01T14:10:19.769629
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C20H23NO2

SMILES: COc1ccc(C(=O)c2cnc(C(C)C)c3c2CCCC3)cc1

BIRTHDAY: 2018-12-01T14:10:19.776855
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H19N5O

SMILES: C1=C[C@@H]2CC[C@@H]1c1nn3c(-c4ccccc4)nnc3c(OCc3ccccn3)c12

BIRTHDAY: 2018-12-01T14:10:19.786312
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C21H17FN4O4

SMILES: COc1ccccc1C(=O)NC1=CN[C@]2(N[C@]3(F)C=CC=CC3=CC2=O)C(=O)N=C1

BIRTHDAY: 2018-12-01T14:10:19.796296
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H23N5O

SMILES: C1=NN2N=C(c3ccccc3)N[C@]23C(=C1OCc1ccncc1)C1CCC3CC1

BIRTHDAY: 2018-12-01T14:10:19.805606
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C21H17FN4O4

SMILES: COc1ccccc1C(=O)NC1=CN[C@@]2(N[C@]3(F)C=CC=CC3=CC2=O)C(=O)N=C1

BIRTHDAY: 2018-12-25T02:02:21.945569
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H29N5O3

SMILES: COc1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)C2CCN(C)CC2)C3(C)C)cc1

BIRTHDAY: 2018-12-25T02:02:21.955327
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@@H]2CC[C@@H]1C1=C(OCc3ccncc3)C=NN3N=C(c4ccccc4)N[C@@]123

BIRTHDAY: 2018-12-25T02:02:21.964793
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C19H21F2N5O2

SMILES: O=C(Nc1cn[nH]c1C(=O)N1CCC[C@@H]2CCCN[C@@H]21)c1cc(F)cc(F)c1

BIRTHDAY: 2018-12-25T02:02:21.974840
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H23N5O

SMILES: C1=NN2N=C(c3ccccc3)N[C@]23C(=C1OCc1ccccn1)C1CCC3CC1

BIRTHDAY: 2018-12-25T02:02:21.984277
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C22H17N7O2

SMILES: Cn1ncnc1COc1nn2c(-c3ccccc3)nnc2cc1C(=O)c1ccccc1

BIRTHDAY: 2018-12-25T02:02:21.994779
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C16H12F3NO2S

SMILES: C[C@H]1Sc2cc(O)ccc2N1C(=O)c1ccc(C(F)(F)F)cc1

BIRTHDAY: 2018-12-25T02:02:22.003630
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C23H20FN5O

SMILES: Fc1cccc(-c2nnc3n2N[C@@]2(OCc4ccncc4)C(=C3)[C@@H]3C=C[C@H]2CC3)c1

BIRTHDAY: 2018-12-25T02:02:22.014027
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C23H23N5O

SMILES: C1=NN2N=C(c3ccccc3)N[C@@]23C(=C1OCc1ccncc1)C1CCC3CC1

BIRTHDAY: 2018-12-25T02:02:22.023472
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C15H10N4

SMILES: N#Cc1ccc(-c2[nH]cnc2-c2ccncc2)cc1

BIRTHDAY: 2018-12-25T02:02:22.050506
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H22N7O4PS

SMILES: CCOC1=C2OPN[C@]3(NC=C(c4ccccc4)S(=O)(=O)N3)C2=NN2N=CN[C@@]12c1ccccc1

BIRTHDAY: 2018-12-25T02:02:22.063749
ATC: A01A
- ALIMENTARY TRACT AND METABOLISM
- STOMATOLOGICAL PREPARATIONS
- STOMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H20FN5O

SMILES: Fc1cccc(-c2nnc3n2N[C@]2(OCc4ccncc4)C(=C3)[C@@H]3C=C[C@@H]2CC3)c1

BIRTHDAY: 2018-12-25T02:02:22.074221
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C20H26N2O

SMILES: CCOC1=C2CC=C(C)C[C@]23CCC[C@@H]2C=CC=C[C@@H]2N3N=C1

BIRTHDAY: 2018-12-03T02:38:26.171440
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1cc(C(=O)c2ccc(OC)cc2)cnc1OCC1CCNCC1

BIRTHDAY: 2018-12-03T02:38:26.190646
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC(C(F)(F)F)=C[C@H]1NC2=O

BIRTHDAY: 2018-12-03T02:38:26.200394
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H23N5O

SMILES: C1=NN2N=C(c3ccccc3)N[C@]23C(=C1OCc1cccnc1)C1CCC3CC1

BIRTHDAY: 2018-12-03T02:38:26.227835
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C19H16F2NO4P

SMILES: O=P(O)(O)C(F)(F)c1ccncc1-c1cccc(OCc2ccccc2)c1

BIRTHDAY: 2018-12-03T02:38:26.255832
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H17FN4O4

SMILES: COc1ccccc1C(=O)NC1=CN[C@]2(N[C@@]3(F)C=CC=CC3=CC2=O)C(=O)N=C1

BIRTHDAY: 2018-12-03T02:38:26.265666
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C19H21F2N5O2

SMILES: O=C(Nc1cc(C(=O)N2CC[C@H]3CCNC[C@H]3C2)n[nH]1)c1c(F)cccc1F

BIRTHDAY: 2018-12-03T02:38:26.285045
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C19H17ClN2O6

SMILES: CCOC(=O)[C@]1(C(=O)OC)C(C#N)=CNC(c2cccc(Cl)c2)=C1C(=O)OC

BIRTHDAY: 2018-12-03T02:38:26.295458
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C20H20N2O3

SMILES: C[C@H]1CNCc2cccc(c2)NCC(=O)C(=O)C(=O)c2ccc1cc2

BIRTHDAY: 2018-12-03T02:38:26.304080
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C22H21FN4O2

SMILES: N[C@]1(c2ccccc2NC(=O)c2cnccc2-c2ccccc2F)COCCN1

BIRTHDAY: 2018-12-03T02:38:26.313748
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C20H20F3N3O4

SMILES: COc1cccc(C(=O)c2c(C(=O)O[C@]3(N)CCCCN3)cncc2C(F)(F)F)c1

BIRTHDAY: 2018-11-30T03:40:22.419825
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C15H10N4

SMILES: N#Cc1ccccc1-c1nc(-c2cccnc2)c[nH]1

BIRTHDAY: 2018-11-30T03:40:22.427194
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C22H21N5O2

SMILES: COc1cccc(-c2nnc3n2NC[C@H]2C=CC=C[C@@]32OCc2cccnc2)c1

BIRTHDAY: 2018-11-30T03:40:22.436787
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H17NO5

SMILES: COC(=O)c1cnc2c(c1C(=O)c1ccccc1OC)C=C(C)C(=O)C2

BIRTHDAY: 2018-11-30T03:40:22.455153
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C20H17FN2

SMILES: Fc1ccc(-c2cc3c(nc2-c2ccccn2)CCCC3)cc1

BIRTHDAY: 2018-11-30T03:40:22.462680
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C20H24N2O

SMILES: COc1ccccc1[C@@]1(c2ccncc2)NCC2CCC1CC2

BIRTHDAY: 2018-11-30T03:40:22.470604
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@H]2CC[C@H]1C1=C2[C@@]2(OCc3ccccn3)NC(c3ccccc3)=NN2N=C1

BIRTHDAY: 2018-11-30T03:40:22.489725
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@H]2CC[C@@H]1C1=C(OCc3ccncc3)C=NN3N=C(c4ccccc4)N[C@@]123

BIRTHDAY: 2018-11-30T03:40:22.508399
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C21H28N6O3

SMILES: COc1cccc(C(=O)Nc2n[nH]c3c2N(C(=O)[C@H]2CCC[C@H](N)N2)CC3(C)C)c1

BIRTHDAY: 2018-11-19T08:16:55.352433
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H18FNO4

SMILES: COc1cccc(C(=O)c2nc(C(=O)c3ccccc3F)cc3c2C=C2C=CC=C[C@@H]2C3=O)c1

BIRTHDAY: 2018-11-19T08:16:55.362878
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C19H19NO4

SMILES: COC(=O)c1c(C(=O)c2ccc(OC)cc2)cnc2c1CCCC2

BIRTHDAY: 2018-11-19T08:16:55.370919
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1ccc(OC[C@H]2CCCNC2)nc1C(=O)c1ccc(OC)cc1

BIRTHDAY: 2018-11-19T08:16:55.380125
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C31H38N8O3S

SMILES: CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc([C@H]3C[C@@H](C)NCCNC[C@@H]4CSC(=N4)c4cccc(n4)CN3)ccc1-2

BIRTHDAY: 2018-11-19T08:16:55.393347
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C21H28F3N3O4

SMILES: CCCCCCCOC(=O)c1nc2nc(C(F)(F)F)c(C(=O)OC)cn2c1C(C)(C)C

BIRTHDAY: 2018-11-19T08:16:55.403227
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C20H16F2N8O

SMILES: Nc1n[nH]c(COc2c(-c3ccc(F)cc3)nn3c2NCC(c2ccc(F)cc2)=N3)n1

BIRTHDAY: 2018-11-19T08:16:55.414057
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H15FN4O4

SMILES: COc1ccc(C(=O)NC2=NCC(=O)Nc3c2c(=O)[nH]c2c(F)cccc32)cc1

BIRTHDAY: 2018-11-19T08:16:55.443325
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C19H15N3O2

SMILES: COc1cccc(C(=O)Nc2cc3c4ccccc4nc-3c[nH]2)c1

BIRTHDAY: 2018-11-19T08:16:55.451356
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC=C(C(F)(F)F)[C@@H]1NC2=O

BIRTHDAY: 2018-11-19T08:16:55.461246
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H21NO2

SMILES: COc1cccc(C(=O)c2nc3c(cc2C(C)C)CC=CC3)c1

BIRTHDAY: 2018-11-19T08:16:55.468563
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C27H26N6O3

SMILES: CCOC(=O)c1ncc2n1CC=CCCOc1ccc(N)c(c1)-c1ccnc(n1)Nc1cccc-2c1

BIRTHDAY: 2018-11-19T08:16:55.479802
ATC: B05C
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- IRRIGATING SOLUTIONS
Synthesis Plan
FORMULA:C19H17FN2O6

SMILES: CCOC(=O)C1=C(c2ccc(F)cc2)NC(C(=O)OC)=C(C(=O)OC)[C@H]1C#N

BIRTHDAY: 2018-11-19T08:16:55.489627
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C14H14N6O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC=C(C#N)[C@@H]1NC2=O

BIRTHDAY: 2018-11-19T08:16:55.498733
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H20FN5O

SMILES: Fc1cccc(-c2nnc3n2N[C@]24C=C[C@H](CC2)CC4=C3OCc2ccncc2)c1

BIRTHDAY: 2018-11-19T08:16:55.508718
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C23H19ClFN5

SMILES: Fc1ccc(-c2nnc3cc4c(nn23)C[C@H]2CCN4C[C@H]2c2ccc(Cl)cc2)cc1

BIRTHDAY: 2018-11-19T08:16:55.528583
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C23H22FN3O2

SMILES: O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(F)cc2)nc1

BIRTHDAY: 2018-11-19T08:16:55.546704
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C14H14N6O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC=C(C#N)[C@H]1NC2=O

BIRTHDAY: 2018-11-19T08:16:55.555821
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H22N8O2

SMILES: C1=NN2N=C(c3noc(-c4ccccn4)n3)N[C@@]2(OCc2ccncc2)C2=C1C1CCC2CC1

BIRTHDAY: 2018-11-19T08:16:55.576750
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C15H14FN5O3

SMILES: O=C(Nc1cc(C(=O)N2CC=[N+]([O-])CC2)n[nH]1)c1ccc(F)cc1

BIRTHDAY: 2018-11-19T08:16:55.585950
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H15F4N3O

SMILES: O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(-c3ccc(F)cc3)nc2)nc1

BIRTHDAY: 2018-11-19T08:16:55.595700
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H21F3N2O4

SMILES: COc1ccc(C(=O)c2ccc(C(=O)OC3CCN(C)CC3)nc2C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:16:55.605363
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C25H20FNO4

SMILES: COc1ccc(C(=O)c2cc(C(=O)c3cccc(F)c3)nc3c2C(=O)CC[C@@H]3C)cc1

BIRTHDAY: 2018-11-19T08:16:55.615139
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@H]2CC[C@@H]1C1=C2C=NN2N=C(c3ccccc3)N[C@@]12OCc1ccncc1

BIRTHDAY: 2018-11-19T08:16:55.624945
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C25H23N5O

SMILES: N#Cc1ccccc1COC1=C2C3CCC(CC3)[C@@]23NC(c2ccccc2)=NN3N=C1

BIRTHDAY: 2018-11-19T08:16:55.634591
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C21H18ClN5O

SMILES: Clc1cccc(-c2nnc3n2NC[C@@H]2C=CC=C[C@]32OCc2ccncc2)c1

BIRTHDAY: 2018-11-19T08:16:55.644110
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C18H21FN8O

SMILES: CC(C)CC1=CC=NN2N=C(c3cccc(F)c3)N[C@@]12OCc1n[nH]c(N)n1

BIRTHDAY: 2018-11-19T08:16:55.654427
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan
FORMULA:C18H13N5

SMILES: N#Cc1ccccc1-c1nc2c([nH]1)N[C@@H](c1ccccc1)N=C2

BIRTHDAY: 2018-11-19T08:16:55.662577
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C21H21F3N2O4

SMILES: COc1ccc(C(=O)c2cnc(C(=O)OC3CCN(C)CC3)c(C(F)(F)F)c2)cc1

BIRTHDAY: 2018-11-19T08:16:55.682014
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H21F2N5O2

SMILES: O=C(Nc1cc(C(=O)N2CC[C@@H]3CCNC[C@@H]3C2)n[nH]1)c1c(F)cccc1F

BIRTHDAY: 2018-11-19T08:16:55.692206
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C16H10F2N4

SMILES: Fc1cccc(-c2c[nH]c3nnc(-c4cccc(F)c4)n23)c1

BIRTHDAY: 2018-11-19T08:16:55.700756
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H21N5O4

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC(C#CC(C)(C)O)=C[C@@H]1NC2=O

BIRTHDAY: 2018-11-19T08:16:55.710097
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C32H46N10O2

SMILES: CC1=NN2[C@H]3CC=C[C@H](N(c4ccccc4[C@@]4(C)CN4)C3)[C@@]2(OCc2n[nH]c(N)n2)C2=C1COCCCNCCCCNC2

BIRTHDAY: 2018-11-19T08:16:55.723910
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H25N5O3Si

SMILES: CCOC(=O)c1nc2c([nH]1)C(=O)N[C@@]1(N)C=CC=C[C@@]1(C#CC[Si](C)(C)C)N2

BIRTHDAY: 2018-11-19T08:16:55.734019
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C14H14F3N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(N)C=CC=C(C(F)(F)F)[C@H]1NC2=O

BIRTHDAY: 2018-11-19T08:16:55.754295
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1cncc(O[C@]2(C)CCCCN2)c1C(=O)c1ccccc1OC

BIRTHDAY: 2018-11-30T17:22:44.010294
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C22H21N5O2

SMILES: COc1cccc(-c2nnc3n2NC[C@H]2C=CC=C[C@@]32OCc2ccncc2)c1

BIRTHDAY: 2018-11-30T17:22:44.029282
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@H]2CC[C@@H]1C1=C(OCc3ccncc3)C=NN3N=C(c4ccccc4)N[C@]123

BIRTHDAY: 2018-11-30T17:22:44.048641
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C21H24N2O5

SMILES: COC(=O)c1cncc(O[C@@]2(C)CCCCN2)c1C(=O)c1ccccc1OC

BIRTHDAY: 2018-11-30T17:22:44.078081
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C20H27N5O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@@]1(OC)C=CC=C[C@@H]1N[C@]21CCCCCC=N1

BIRTHDAY: 2018-11-30T17:22:44.096820
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C23H20FN5O

SMILES: Fc1cccc(-c2nnc3n2N[C@@]24C=C[C@@H](CC2)CC4=C3OCc2ccncc2)c1

BIRTHDAY: 2018-11-30T17:22:44.106656
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@H]2CC[C@H]1C1=NN3N=CN[C@]3(c3ccccc3)C(OCc3ccncc3)=C12

BIRTHDAY: 2018-12-02T16:05:52.576611
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C17H17FN8O

SMILES: Nc1nc(CO[C@]23NC(c4cccc(F)c4)=NN2N=CC=C3C2CC2)n[nH]1

BIRTHDAY: 2018-12-02T16:05:52.587312
ATC: N04B
- NERVOUS SYSTEM
- ANTI-PARKINSON DRUGS
- DOPAMINERGIC AGENTS
Synthesis Plan
FORMULA:C22H17N5O2

SMILES: COc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1

BIRTHDAY: 2018-12-02T16:05:52.606690
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C20H25N5O3

SMILES: COc1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)C2CCN(C)CC2)C3)cc1

BIRTHDAY: 2018-12-03T10:42:14.297862
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C17H17FN8O

SMILES: Nc1n[nH]c(CO[C@]23NC(c4cccc(F)c4)=NN2N=CC=C3C2CC2)n1

BIRTHDAY: 2018-12-03T10:42:14.317447
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C24H31N7O4

SMILES: O=C(O)[C@H]1CCCCCNCCNCCc2n[nH]c(=O)c(OCc3ncnn3-c3ccccc3)c21

BIRTHDAY: 2018-12-03T10:42:14.348473
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C25H18FNO4

SMILES: COc1ccccc1C(=O)c1nc(C(=O)c2ccccc2F)cc2c1C=C(C)C(=O)C2

BIRTHDAY: 2018-12-03T10:42:14.358462
ATC: A09A
- ALIMENTARY TRACT AND METABOLISM
- DIGESTIVES, INCL. ENZYMES
- DIGESTIVES, INCL. ENZYMES
Synthesis Plan
FORMULA:C22H26N2O5

SMILES: COC(=O)c1cc(C(=O)c2ccc(OC)cc2)cnc1OCC1CCN(C)CC1

BIRTHDAY: 2018-12-03T10:42:14.387101
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C14H14N6O3

SMILES: CCOC(=O)c1nc2c([nH]1)N[C@]1(N)C=CC(C#N)=C[C@H]1NC2=O

BIRTHDAY: 2018-12-03T10:42:14.406588
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H22N10O2

SMILES: N#C[C@H]1CCN(C(=O)CC2=CC=NN3N=C(c4ccccc4)N[C@@]23OCc2n[nH]c(N)n2)C1

BIRTHDAY: 2018-12-03T19:10:39.912271
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis plan pending
FORMULA:C15H10N4

SMILES: N#Cc1cccc(-c2[nH]cnc2-c2ccccn2)c1

BIRTHDAY: 2018-12-03T19:10:39.949238
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis plan pending
FORMULA:C23H21N5O

SMILES: C1=C[C@@H]2CC[C@@H]1C1=NN3N=CN[C@]3(c3ccccc3)C(OCc3ccncc3)=C12

BIRTHDAY: 2018-12-03T19:10:39.996959
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis plan pending
FORMULA:C23H20FN5O

SMILES: Fc1cccc(-c2nnc3n2N[C@@]24C=C[C@H](CC2)CC4=C3OCc2ccncc2)c1

BIRTHDAY: 2018-12-01T22:29:44.325422
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C19H15N3O2

SMILES: COc1ccc(C(=O)Nc2cc3c4ccccc4nc-3c[nH]2)cc1

BIRTHDAY: 2018-12-01T22:29:44.333453
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H21N5O2

SMILES: COc1cccc(-c2nnc3n2NC[C@H]2C=CC=C[C@]32OCc2ccncc2)c1

BIRTHDAY: 2018-12-01T22:29:44.352397
ATC: D07A
- DERMATOLOGICALS
- CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
- CORTICOSTEROIDS, PLAIN
Synthesis Plan
FORMULA:C23H21N5O

SMILES: C1=C[C@@H]2CC[C@@H]1C1=NN3N=CN[C@@]3(c3ccccc3)C(OCc3ccncc3)=C12

BIRTHDAY: 2018-12-01T22:29:44.362337
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C20H21N3O4

SMILES: CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(C#CC(C)(C)O)ccc1-2

BIRTHDAY: 2018-12-01T22:29:44.371091
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C28H18FNO4

SMILES: COc1ccccc1C(=O)c1c(C(=O)c2ccccc2F)cnc2c1C=C1C=CC=C[C@@H]1C2=O

BIRTHDAY: 2018-12-01T22:29:44.391404
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C23H20FN5O

SMILES: Fc1cccc(-c2nnc3n2N[C@]24C=C[C@@H](CC2)CC4=C3OCc2ccncc2)c1

BIRTHDAY: 2018-12-01T22:29:44.420846
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C18H21FN8O

SMILES: CC(C)CC1=CC=NN2N=C(c3cccc(F)c3)N[C@]12OCc1n[nH]c(N)n1

BIRTHDAY: 2018-12-01T22:29:44.431240
ATC: N01B
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, LOCAL
Synthesis Plan
FORMULA:C23H22N2O3

SMILES: CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c-2c1CC

BIRTHDAY: 2018-12-01T22:29:44.449075
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan