Drug Information

Drug General Information
Drug ID
D0U4FW
Former ID
DNC000578
Drug Name
DU 125530
Drug Type
Small molecular drug
Indication Mood disorder [ICD10:F30-F39] Discontinued in Phase 2 [547248]
Structure
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2D MOL

3D MOL
Formula
C23H26ClN3O5S
Canonical SMILES
C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC(=CC5=C4OC<br />CO5)Cl
InChI
1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
InChIKey
LYXKFNHUJJDTIA-UHFFFAOYSA-N
CAS Number
CAS 161612-21-1
PubChem Compound ID
9848499
PubChem Substance ID
14810579, 24145074, 44946565, 47359904, 47880097, 77922506, 85210160, 103284346, 128561317, 134339973, 135264012, 136351179, 143228038, 163352693, 198940647, 227328323
Target and Pathway
Target(s) 5-hydroxytryptamine 1A receptor Target Info Antagonist [535456]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
Serotonergic synapse
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
5HT1 type receptor mediated signaling pathway
Reactome Serotonin receptors
G alpha (i) signalling events
WikiPathways Serotonin HTR1 Group and FOS Pathway
SIDS Susceptibility Pathways
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signaling
References
Ref 547248Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014469)
Ref 5354565-Hydroxytryptamine1A receptor occupancy by novel full antagonist 2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzdioxyn-5-yl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3-(2H)-one-1,1-dioxide: a[11C][O-methyl-3H]-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-(2-pyridinyl)cyclohexanecarboxamide trihydrochloride (WAY-100635) positron emission tomography study in humans. J Pharmacol Exp Ther. 2002 Jun;301(3):1144-50.

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