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Items 1-12 of 37

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  1. , Inhibitor of NET;Inhibitor of SERT
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    Lofepramine, Inhibitor of NET;Inhibitor of SERT
    Cas#: 23047-25-8        Compound CID:  3947
    Formula:  C26H27ClN2O        Molecular Weight: 418.97
    IUPAC Name: 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone
    SMILES: CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl
    InChIKey: SAPNXPWPAUFAJU-UHFFFAOYSA-N
    InChI: InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
    Synonyms: 1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamino}ethanone | Gamanil | HMS3413F21...
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  2. , Integrin alpha-L/beta-2 (LFA-1) antagonist
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    Lifitegrast, Integrin alpha-L/beta-2 (LFA-1) antagonist
    Cas#: 1025967-78-5        Compound CID:  11965427
    Formula:  C29H24Cl2N2O7S        Molecular Weight: 615.48
    IUPAC Name: (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid
    SMILES: CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl
    InChIKey: JFOZKMSJYSPYLN-QHCPKHFHSA-N
    InChI: InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1
    Synonyms: EN300-20605731 | 7-hydroxy-2-methyl-3-phenoxy-chromone | CS-6264 | s3714 | A900838 | Q23044263 | N-(2-(1-benzofuran-6...
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  3. , Inhibitor of farnesyl diphosphate synthase;Inhibitor of squalene synthase
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    Ibandronic Acid, Inhibitor of farnesyl diphosphate synthase;Inhibitor of squalene synthase
    Cas#: 114084-78-5        Compound CID:  60852
    Formula:  C9H23NO7P2        Molecular Weight: 319.23
    IUPAC Name: [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid
    SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey: MPBVHIBUJCELCL-UHFFFAOYSA-N
    InChI: InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
    Synonyms: P,P'-[1-Hydroxy-3-(methylpentylamino)propylidene]bisphosphonic Acid | IBANDRONIC ACID [MART.] | acidum ibandronicum |...
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  4. , Inhibitor of Monoamine oxidase B
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    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-...
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  5. , 4-hydroxyphenylpyruvate dioxygenase inhibitor
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    Nitisinone, 4-hydroxyphenylpyruvate dioxygenase inhibitor
    Cas#: 104206-65-7        Compound CID:  115355
    Formula:  C14H10F3NO5        Molecular Weight: 329.23
    IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
    SMILES: C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
    InChIKey: OUBCNLGXQFSTLU-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
    Synonyms: FT-0672739 | NITISINONE [MART.] | 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione | 2-[2-nitro-4-(trifluo...
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  6. , Prostanoid IP receptor agonist
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    Iloprost, Prostanoid IP receptor agonist
    Cas#: 78919-13-8        Compound CID:  5311181
    Formula:  C22H32O4        Molecular Weight: 360.49
    IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
    SMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O
    InChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-N
    InChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
    Synonyms: EX-A6213 | SR-05000001498 | BDBM23954 | E-1030 | JED5K35YGL | SR-05000001498-2 | Ventavis | DB01088 | ZK-36374 | EX-A...
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  7. , Sodium/glucose cotransporter 2 inhibitor
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    Ipragliflozin, Sodium/glucose cotransporter 2 inhibitor
    Cas#: 761423-87-4        Compound CID:  10453870
    Formula:  C21H21FO5S        Molecular Weight: 404.45
    IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)F
    InChIKey: AHFWIQIYAXSLBA-RQXATKFSSA-N
    InChI: InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
    Synonyms: (1S)-1,5-Anhydro-1-c-[3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl]-D-glucitol | MS-26796 | (2S,3R,4R,5S,6R)-2-{3-...
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  8. , Serotonin transporter inhibitor
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    Paroxetine, Serotonin transporter inhibitor
    Cas#: 61869-08-7        Compound CID:  43815
    Formula:  C19H20FNO3        Molecular Weight: 329.37
    IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
    SMILES: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
    InChIKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N
    InChI: InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
    Synonyms: (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine | AB00514724 | BRL-29060 | DB00715 | (-)-tra...
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  9. , Sphingosine 1-phosphate receptor Edg-1 agonist
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    Ponesimod, Sphingosine 1-phosphate receptor Edg-1 agonist
    Cas#: 854107-55-4        Compound CID:  11363176
    Formula:  C23H25ClN2O4S        Molecular Weight: 460.974
    IUPAC Name: (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
    SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C
    InChIKey: LPAUOXUZGSBGDU-ULCCENQXSA-N
    InChI: InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
    Synonyms: BP175283 | Ponesimod,ACT-128800 | 4-Thiazolidinone, 5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylene]-3-(2-...
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  10. , Cyclin-dependent kinase 6 inhibitor
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    Abemaciclib, Cyclin-dependent kinase 6 inhibitor
    Cas#: 1231929-97-7        Compound CID:  46220502
    Formula:  C27H32F2N8        Molecular Weight: 506.59
    IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
    SMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F
    InChIKey: UZWDCWONPYILKI-UHFFFAOYSA-N
    InChI: InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
    Synonyms: L01XE50 | 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzimidazol-5-y...
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  11. , Endothelin receptor, ET-A/ET-B antagonist
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    Macitentan, Endothelin receptor, ET-A/ET-B antagonist
    Cas#: 441798-33-0        Compound CID:  16004692
    Formula:  C19H20Br2N6O4S        Molecular Weight: 588.27
    IUPAC Name: 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
    SMILES: CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
    InChIKey: JGCMEBMXRHSZKX-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)
    Synonyms: EX-A544 | MACITENTAN [WHO-DD] | Opsumit (TN) | N-(5-(4-BROMOPHENYL)-6-(2-((5-BROMOPYRIMIDIN-2-YL)OXI)ETHOXY)PYRIMIDIN...
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