Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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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| Synonyms |
CHEMBL398687; AC1MRYJJ; 2-phenyl-N,N-bis(o-tolylthiomethyl)ethanamine; BDBM50232470
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| 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 | Top | |||
|---|---|---|---|---|
| Target(s) | Melanin-concentrating hormone receptor 1 (MCHR1) | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening. J Med Chem. 2008 Feb 14;51(3):581-8. | |||
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