Drug Information

Drug General Information
Drug ID
D04OOK
Former ID
DNC008103
Drug Name
Phenyl-N,N-bis(tosylmethyl)methanamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529257]
Structure
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2D MOL

3D MOL
Formula
C23H25NO4S2
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)CN(CC2=CC=CC=C2)CS(=O)(=O)C3=CC=<br />C(C=C3)C
InChI
1S/C23H25NO4S2/c1-19-8-12-22(13-9-19)29(25,26)17-24(16-21-6-4-3-5-7-21)18-30(27,28)23-14-10-20(2)11-15-23/h3-15H,16-18H2,1-2H3
InChIKey
KQKVTPWQOSNHBI-UHFFFAOYSA-N
PubChem Compound ID
3787955
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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