Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09HHW
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| Former ID |
DNC005429
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| Drug Name |
ML-253764
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| Synonyms |
CHEMBL40711; ML-253764; SCHEMBL3728758; ZINC3938671; BDBM50142895; 2-[2-[2-(5-bromo-2-methoxyphenyl)-ethyl]-3-fluorophenyl]-4,5-dihydro-1h-imidazole; 2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro-phenyl}-4,5-dihydro-1H-imidazole
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C18H18BrFN2O
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| Canonical SMILES |
COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCN3
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| InChI |
1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22)
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| InChIKey |
WCPPZGPJRHLSKP-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanocortin receptor 4 (MC4R) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Pathway Interaction Database | Syndecan-3-mediated signaling events | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (s) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for... J Med Chem. 2006 Feb 9;49(3):911-22. | |||
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