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Ligand

Namepropyl 4-{[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]amino}benzoate
Molecular formulaC21H20N2O5
IUPAC namepropyl 4-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
Molecular weight380.4
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
SynonymsCHEMBL3907161
ZINC100668519
Oprea1_135734
AKOS005382140
MCULE-2101871974
[ Show all ]
Inchi KeyBGWQIYOLWFGCAN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N2O5/c1-3-12-28-21(27)13-8-10-14(11-9-13)22-19(25)17-18(24)15-6-4-5-7-16(15)23(2)20(17)26/h4-11,24H,3,12H2,1-2H3,(H,22,25)
PubChem CID54676459
ChEMBLCHEMBL3907161
IUPHARN/A
BindingDBN/A
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
536579Smoothened homologP56726SmoMus musculus (Mouse)793

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