Drug Information

Drug General Information
Drug ID
D01RWS
Former ID
DNC009119
Drug Name
3-Benzyl-5-isopropyl-8-methylchromen-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530009]
Structure
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2D MOL

3D MOL
Formula
C20H20O2
Canonical SMILES
CC1=C2C(=C(C=C1)C(C)C)C=C(C(=O)O2)CC3=CC=CC=C3
InChI
1S/C20H20O2/c1-13(2)17-10-9-14(3)19-18(17)12-16(20(21)22-19)11-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3
InChIKey
PFSLDHWSUPFZPK-UHFFFAOYSA-N
PubChem Compound ID
16066912
Target and Pathway
Target(s) Cannabinoid receptor 1 Target Info Inhibitor [530009]
Cannabinoid receptor 2 Target Info Inhibitor [530009]
KEGG Pathway Rap1 signaling pathway
Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signalinghsa04080:Neuroactive ligand-receptor interaction
PANTHER Pathway Endogenous cannabinoid signaling
Pathway Interaction Database N-cadherin signaling events
Reactome Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling eventsR-HSA-373076:Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Small Ligand GPCRs
BDNF signaling pathway
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
References
Ref 530009Bioorg Med Chem. 2009 Apr 1;17(7):2842-51. Epub 2009 Feb 21.Synthesis and pharmacological evaluation of coumarin derivatives as cannabinoid receptor antagonists and inverse agonists.
Ref 530009Bioorg Med Chem. 2009 Apr 1;17(7):2842-51. Epub 2009 Feb 21.Synthesis and pharmacological evaluation of coumarin derivatives as cannabinoid receptor antagonists and inverse agonists.

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