Drug Information

Drug General Information
Drug ID
D09RGM
Former ID
DNC008102
Drug Name
N,N-bis(tosylmethyl)hexan-1-amine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529257]
Structure
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2D MOL

3D MOL
Formula
C22H31NO4S2
Canonical SMILES
CCCCCCN(CS(=O)(=O)C1=CC=C(C=C1)C)CS(=O)(=O)C2=CC=C(C=C2<br />)C
InChI
1S/C22H31NO4S2/c1-4-5-6-7-16-23(17-28(24,25)21-12-8-19(2)9-13-21)18-29(26,27)22-14-10-20(3)11-15-22/h8-15H,4-7,16-18H2,1-3H3
InChIKey
JNUXLFWPSMEIDT-UHFFFAOYSA-N
PubChem Compound ID
3747253
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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