Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D07WFH
|
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| Former ID |
DNC008101
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| Drug Name |
2-phenyl-N,N-bis(o-tolylthiomethyl)ethanamine
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C24H27NS2
|
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| Canonical SMILES |
CC1=CC=CC=C1SCN(CCC2=CC=CC=C2)CSC3=CC=CC=C3C
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| InChI |
1S/C24H27NS2/c1-20-10-6-8-14-23(20)26-18-25(17-16-22-12-4-3-5-13-22)19-27-24-15-9-7-11-21(24)2/h3-15H,16-19H2,1-2H3
|
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| InChIKey |
XPJBCYSDRUCTBK-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melanin-concentrating hormone receptor 1 | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| Reactome | Peptide ligand-binding receptors | ||||
| G alpha (q) signalling events | |||||
| G alpha (i) signalling events | |||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| GPCR ligand binding | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | J Med Chem. 2008 Feb 14;51(3):581-8. Epub 2008 Jan 17.Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening. | ||||
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