Drug Information

Drug General Information
Drug ID
D07WFH
Former ID
DNC008101
Drug Name
2-phenyl-N,N-bis(o-tolylthiomethyl)ethanamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529257]
Structure
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2D MOL

3D MOL
Formula
C24H27NS2
Canonical SMILES
CC1=CC=CC=C1SCN(CCC2=CC=CC=C2)CSC3=CC=CC=C3C
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
InChIKey
XPJBCYSDRUCTBK-UHFFFAOYSA-N
PubChem Compound ID
3575822
Target and Pathway
Target(s) Melanin-concentrating hormone receptor 1 Target Info Inhibitor [529257]
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 529257J 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.
Ref 529257J 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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