Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09HHW
|
||||
| Former ID |
DNC005429
|
||||
| Drug Name |
ML-253764
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C18H18BrFN2O
|
||||
| Canonical SMILES |
COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCN3
|
||||
| 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)
|
||||
| InChIKey |
WCPPZGPJRHLSKP-UHFFFAOYSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melanocortin-4 receptor | 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 | |||||
| REF 1 | J Med Chem. 2006 Feb 9;49(3):911-22.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 receptor activation. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.