Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03KTU
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| Former ID |
DNC009446
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| Drug Name |
BMS-561388
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| Synonyms |
UNII-NQ8L686GDJ; NQ8L686GDJ; BMS-561388 besylate; SCHEMBL5104174; CHEMBL474287; BMS-561388 monobenzenesulfonate; 383368-51-2; Pyrazolo(1,5-a)-1,3,5-triazin-4-amine, N,N-bis(2-methoxyethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-, monobenzenesulfonate; Pyrazolo(1,5-a)-1,3,5-triazin-4-amine, N,N-bis(2-methoxyethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-, benzenesulfonate (1:1)
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| Drug Type |
Small molecular drug
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| Indication | Anxiety disorder [ICD-11: 6B00-6B0Z; ICD-10: R45.0] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C27H35N5O6S
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| Canonical SMILES |
CC1=C(C=CC(=C1)OC)C2=C3N=C(N=C(N3N=C2C)N(CCOC)CCOC)C.C1=CC=C(C=C1)S(=O)(=O)O
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| InChI |
1S/C21H29N5O3.C6H6O3S/c1-14-13-17(29-6)7-8-18(14)19-15(2)24-26-20(19)22-16(3)23-21(26)25(9-11-27-4)10-12-28-5;7-10(8,9)6-4-2-1-3-5-6/h7-8,13H,9-12H2,1-6H3;1-5H,(H,7,8,9)
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| InChIKey |
ZQUBMILBXQLTDU-UHFFFAOYSA-N
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| CAS Number |
CAS 383368-51-2
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Corticotropin-releasing factor receptor 1 (CRHR1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Long-term depression | ||||
| NetPath Pathway | TNFalpha Signaling Pathway | |||
| Panther Pathway | Cortocotropin releasing factor receptor signaling pathway | |||
| Reactome | Class B/2 (Secretin family receptors) | |||
| G alpha (s) signalling events | ||||
| WikiPathways | GPCRs, Class B Secretin-like | |||
| Myometrial Relaxation and Contraction Pathways | ||||
| Corticotropin-releasing hormone | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 8-(4-Methoxyphenyl)pyrazolo[1,5-a]-1,3,5-triazines: selective and centrally active corticotropin-releasing factor receptor-1 (CRF1) antagonists. J Med Chem. 2009 May 14;52(9):3073-83. | |||
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