Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Q7NB
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| Former ID |
DIB002563
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| Drug Name |
842166X
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| Synonyms |
GW842166X; 666260-75-9; GW 842166X; GW-842166X; UNII-VL1I6P2DZ8; VL1I6P2DZ8; GW842166; GW 842166; CHEMBL225411; 2-((2,4-dichlorophenyl)amino)-N-((tetrahydro-2H-pyran-4-yl)methyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide; TWQYWUXBZHPIIV-UHFFFAOYSA-N; 842166X; MLS006010287; C18H17Cl2F3N4O2; SCHEMBL3015040; DTXSID60216786; MolPort-009-019-316; HMS3656P06; BCP05306; ZINC3947932; BDBM50211843; s2778; 2455AH; AKOS032945128; DB11903; BCP9000755; CS-7768; SB19546; API0013938; GW-842,166X; NCGC00346697-05; NCGC00346697-01; KB-77649; HY-14167
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| Drug Type |
Small molecular drug
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| Indication | Pain [ICD-11: MG30-MG3Z] | Phase 2 | [1] | |
| Structure |
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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)Cl
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| InChI |
1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
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| InChIKey |
TWQYWUXBZHPIIV-UHFFFAOYSA-N
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| CAS Number |
CAS 666260-75-9
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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 | Top | |||
|---|---|---|---|---|
| Target(s) | Cannabinoid receptor 2 (CB2) | 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 | Top | |||
|---|---|---|---|---|
| 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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