Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0U4FW
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| Former ID |
DNC000578
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| Drug Name |
DU 125530
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| Synonyms |
DU 125530; UNII-ZB05V621UD; CHEMBL79261; DU-125530; ZB05V621UD; 161611-99-0; DU125530; SCHEMBL1082516; BDBM85079; DTXSID00167208; MolPort-044-830-638; PDSP1_000932; PDSP2_000918; 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide; L001571; 2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-butyl]-1,2-benzisothiazol-3(2h)-one-1,1-dioxide; 2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-yl]-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2H)-one 1,
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| Drug Type |
Small molecular drug
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| Indication | Mood disorder [ICD-11: 6A60-6E23] | Discontinued in Phase 2 | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C23H26ClN3O5S
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| Canonical SMILES |
C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=C5C(=CC(=C4)Cl)OCCO5
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| 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
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| InChIKey |
LYXKFNHUJJDTIA-UHFFFAOYSA-N
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| CAS Number |
CAS 161611-99-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 1A receptor (HTR1A) | Target Info | Antagonist | [2] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014469) | |||
| REF 2 | 5-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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