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Ligand

NameCHEMBL202563
Molecular formulaC25H30N4O
IUPAC name(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
Molecular weight402.542
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50177277
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinolin-6-yl)-3-p-tolylacrylamide
SCHEMBL5909828
SCHEMBL5909832
Inchi KeyACSLJTYYCFGVHX-JLHYYAGUSA-N
Inchi IDInChI=1S/C25H30N4O/c1-18-6-8-20(9-7-18)10-13-25(30)26-21-11-12-23-22(17-21)19(2)16-24(27-23)29(5)15-14-28(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,26,30)/b13-10+
PubChem CID44407667
ChEMBLCHEMBL202563
IUPHARN/A
BindingDB50177277
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1879Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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