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  1. Sumatriptan, Serotonin 1d (5-HT1d) receptor agonist
    Cas#: 103628-46-2        Compound CID:  5358
    Formula:  C14H21N3O2S        Molecular Weight: 295.4
    IUPAC Name: 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
    SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C
    InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
    Synonyms: AVP825 | AVP-825 | AB00698285_15 | Imigran Recovery | HMS2231B21 | Q416978 | Imitrex | AB00698285-12 | AVP 825 | 1-[3...
  2. Pimozide, Dopamine receptor antagonist
    Cas#: 2062-78-4        Compound CID:  16362
    Formula:  C28H29F2N3O        Molecular Weight: 461.55
    IUPAC Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
    SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
    InChIKey: YVUQSNJEYSNKRX-UHFFFAOYSA-N
    InChI: InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
    Synonyms: Orap | R6238 | MLS000028410 | Pimozidum | PIMOZIDE [USP MONOGRAPH] | Prestwick0_000308 | HMS501D08 | Opiran | BSPBio_...
  3. Rasagiline, Inhibitor of Monoamine oxidase B
    Cas#: 136236-51-6        Compound CID:  3052776
    Formula:  C12H13N        Molecular Weight: 171.24
    IUPAC Name: (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
    SMILES: C#CCNC1CCC2=CC=CC=C12
    InChIKey: RUOKEQAAGRXIBM-GFCCVEGCSA-N
    InChI: InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
    Synonyms: TVP1012 | (R)-2,3-dihydro-N-2-propynyl-1H-inden-1-amine | (R)-N-(2-Propynyl)-2,3-dihydroinden-1-amine | Azilect | TV-...
  4. Chlorpromazine, D2-like dopamine receptor antagonist
    Cas#: 50-53-3        Compound CID:  2726
    Formula:  C17H19ClN2S        Molecular Weight: 318.9
    IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
    SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
    InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N
    InChI: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
    Synonyms: Ampliactil | chlorpromazine | Clorpromazina | Chlordelazin | HL 5746 | NSC-226514 | Cromedazine | Fraction AB | 2-chl...
  5. Pexidartinib, Stem cell growth factor receptor inhibitor
    Cas#: 1029044-16-3        Compound CID:  25151352
    Formula:  C20H15ClF3N5        Molecular Weight: 417.815
    IUPAC Name: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine
    SMILES: C1=CC(=NC=C1CC2=CNC3=C2C=C(C=N3)Cl)NCC4=CN=C(C=C4)C(F)(F)F
    InChIKey: JGWRKYUXBBNENE-UHFFFAOYSA-N
    InChI: InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
    Synonyms: CML-261 | D11270 | PEXIDARTINIB [MI] | N-[5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]-6-(trifluor...
  6. Loxapine, Serotonin 2c (5-HT2c) receptor antagonist
    Cas#: 1977-10-2        Compound CID:  3964
    Formula:  C18H18ClN3O        Molecular Weight: 327.81
    IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
    SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
    InChIKey: XJGVXQDUIWGIRW-UHFFFAOYSA-N
    InChI: InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
    Synonyms: AB00053735_16 | Cloxazepine | DTXCID903229 | NCGC00021145-07 | PDSP1_001058 | SCHEMBL94146 | NCGC00021145-05 | NCGC00...
  7. Dipyridamole, 3',5'-cyclic phosphodiesterase inhibitor
    Cas#: 58-32-2        Compound CID:  3108
    Formula:  C24H40N8O4        Molecular Weight: 504.63
    IUPAC Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
    SMILES: C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO
    InChIKey: IZEKFCXSFNUWAM-UHFFFAOYSA-N
    InChI: InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
    Synonyms: (3E)-3-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methylene]dihydro-5-methoxy-2(3H)3-[(1E)-...
  8. Aripiprazole, Serotonin 2a (5-HT2a) receptor antagonist
    Cas#: 129722-12-9        Compound CID:  60795
    Formula:  C23H27Cl2N3O2        Molecular Weight: 448.39
    IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
    SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
    InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N
    InChI: InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
    Synonyms: 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril | Aripiprazole [USAN:INN:BAN] | Aripiprazol...
  9. Fluphenazine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor;Antagonist of D 1 receptor;Antagonist of D 2 receptor;Antagonist of D 5 receptor;Antagonist of H 1 receptor
    Cas#: 69-23-8        Compound CID:  3372
    Formula:  C22H26F3N3OS        Molecular Weight: 437.53
    IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
    SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
    InChIKey: PLDUPXSUYLZYBN-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
    Synonyms: Siqualine | 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]- | BDBM78433 | KBio2_007522 | SP...
  10. Fluoxetine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Channel blocker of CaCC;Gating inhibitor of K ir3.2;Gating inhibitor of K v3.1;Inhibitor of Plasma membrane monoamine transporter;In
    Cas#: 54910-89-3       
    Formula:  C17H18F3NO        Molecular Weight: 309.33
    IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
    SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F
    InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N
    InChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
    Synonyms: (±)-N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine | N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propy...
  11. Vortioxetine, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Antagonist of 5-HT 1D receptor;Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 3A;Antagonist of 5-HT 5A receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor;Inhibitor of SERT
    Cas#: 508233-74-7        Compound CID:  9966051
    Formula:  C18H22N2S        Molecular Weight: 298.45
    IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
    SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C
    InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N
    InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
    Synonyms: Lu AA 21004 | AR-270/43507985 | GG-0052 | Lu AA 21004 | Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-; 1-[2-(2,...
  12. Amitriptyline, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor;Antagonist of H 1 receptor;Channel blocker of K ir3.2;Channel blocker of K ir3.4;Antagonist of LPA 1 receptor;Antagonist of M 1 recep
    Cas#: 50-48-6        Compound CID:  2160
    Formula:  C20H23N        Molecular Weight: 277.41
    IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
    SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
    InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-N
    InChI: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
    Synonyms: Redomex | Triptisol | Damilen | Lantron | Amitriptilina | amitriptyline | Amitryptiline | Triptanol | Elavil | Serote...
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