Drug General Information
Drug ID
D00PYP
Former ID
DCL000175
Drug Name
NBI-37582
Drug Type
Small molecular drug
Indication Anxiety disorder; Depression [ICD9: 300, 311; ICD10:F30-F39, F40-F42] Terminated [527521]
Company
Neurocrine Biosci
Structure
Download
2D MOL

3D MOL

Formula
C31H33Cl2F3N8O8S2
Canonical SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)OCC4=C(N5C(C<br />(C5=O)NC(=O)C(=NOC)C6=CSC(=N6)N)SC4)C(=O)O)CCF)F.Cl.Cl
InChI
1S/C31H31F3N8O8S2.2ClH/c1-39-5-7-40(8-6-39)24-17(33)9-15-23(19(24)34)41(4-3-32)10-16(25(15)43)30(48)50-11-14-12-51-28-21(27(45)42(28)22(14)29(46)47)37-26(44)20(38-49-2)18-13-52-31(35)36-18;;/h9-10,13,21,28H,3-8,11-12H2,1-2H3,(H2,35,36)(H,37,44)(H,46,47);2*1H/b38-20-;;/t21-,28-;;/m1../s1
InChIKey
DSGXXSRGPIYUHF-ZVOUVGCISA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Corticotropin releasing factor receptor 1 Target Info Antagonist [550543]
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
Ref 527521Strategies for producing faster acting antidepressants. Drug Discov Today. 2005 Apr 15;10(8):578-85.
Ref 550543CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.

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