Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Q7NB
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| Former ID |
DIB002563
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| Drug Name |
842166X
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| Drug Type |
Small molecular drug
|
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| Indication | Pain [ICD9: 338, 356.0, 356.8,780; ICD10:G64, G90.0, R52, G89] | Phase 2 | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C18H17Cl2F3N4O2
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| Canonical SMILES |
C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=C(C=C(C=C3)Cl)C<br />l
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| InChIKey |
TWQYWUXBZHPIIV-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID |
15256486, 22635862, 41238400, 71825090, 77218657, 85202080, 103517272, 104087921, 125335596, 135264252, 137125250, 138038797, 144116045, 152159592, 162012060, 162221954, 163893545, 174007169, 196409734, 198965216, 223704841, 224067549, 229069767, 244038640, 251963100, 252160576, 252215518, 252471952
|
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| Target and Pathway | |||||
| Target(s) | Cannabinoid receptor 2 | Target Info | Agonist | [2] | |
| 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 1 | ClinicalTrials.gov (NCT00444769) Dental Pain 3rd Molar Tooth Extraction GW842166. U.S. National Institutes of Health. | ||||
| REF 2 | The 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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