Drug General Information
Drug ID
D0Q7NB
Former ID
DIB002563
Drug Name
842166X
Drug Type
Small molecular drug
Indication Pain [ICD9: 338, 356.0, 356.8,780; ICD10:G64, G90.0, R52, G89] Phase 2 [521980]
Structure
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2D MOL

3D MOL

Formula
C18H17Cl2F3N4O2
Canonical SMILES
C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=C(C=C(C=C3)Cl)C<br />l
InChIKey
TWQYWUXBZHPIIV-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Cannabinoid receptor 2 Target Info Agonist [532597]
KEGG Pathway Neuroactive ligand-receptor interaction
Reactome Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Small Ligand GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 521980ClinicalTrials.gov (NCT00444769) Dental Pain 3rd Molar Tooth Extraction GW842166. U.S. National Institutes of Health.
Ref 532597The agonist binding mechanism of human CB2 receptor studied by molecular dynamics simulation, free energy calculation and 3D-QSAR studies. Yao Xue Xue Bao. 2013 Sep;48(9):1436-49.

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