Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0TS3S
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| Drug Name |
Heterocyclic-substituted 3-alkyl azetidine derivative 3
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| Synonyms |
PMID26161824-Compound-160
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| Drug Type |
Small molecular drug
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| Indication | Obesity [ICD-11: 5B81; ICD-10: E66; ICD-9: 278] | Patented | [1] | |
| Company |
MERCK & CO., INC. BAKER, Robert, K. HALE, Jeffrey, J. MIAO, Shouwu RUPPRECHT, Kathleen, M
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| Structure |
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Download2D MOL |
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| Formula |
C29H25F3N4O2
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| Canonical SMILES |
CC(C)(C(C1CN(C1)C(C2=CC=C(C=C2)C3=NNC(=O)O3)C4=CC=CC(=C4)C#N)C5=CC(=CC(=C5)F)F)F
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| InChI |
1S/C29H25F3N4O2/c1-29(2,32)25(21-11-23(30)13-24(31)12-21)22-15-36(16-22)26(20-5-3-4-17(10-20)14-33)18-6-8-19(9-7-18)27-34-35-28(37)38-27/h3-13,22,25-26H,15-16H2,1-2H3,(H,35,37)
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| InChIKey |
SROKVDFDVQITLS-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cannabinoid receptor 1 (CB1) | Target Info | Antagonist | [1] |
| Target's Patent Info | Cannabinoid receptor 1 (CB1) | Target's Patent Info | [1] | |
| KEGG Pathway | Rap1 signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Retrograde endocannabinoid signaling | ||||
| Panther Pathway | Endogenous cannabinoid signaling | |||
| Pathway Interaction Database | N-cadherin signaling events | |||
| Reactome | 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, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A comprehensive patents review on cannabinoid 1 receptor antagonists as antiobesity agents. Expert Opin Ther Pat. 2015 Oct;25(10):1093-116. | |||
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