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Ligand

NameCHEMBL3941789
Molecular formulaC24H26N2O5
IUPAC namepropyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
Molecular weight422.481
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsAG-690/11765212
MolPort-044-565-380
BDBM50196085
propyl 4-{[(1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]amino}benzoate
MCULE-5069156773
[ Show all ]
Inchi KeyGZKCRVUTBBOLCK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O5/c1-3-5-14-26-19-9-7-6-8-18(19)21(27)20(23(26)29)22(28)25-17-12-10-16(11-13-17)24(30)31-15-4-2/h6-13,27H,3-5,14-15H2,1-2H3,(H,25,28)
PubChem CID54683102
ChEMBLCHEMBL3941789
IUPHARN/A
BindingDB50196085
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538650Smoothened homologP56726SmoMus musculus (Mouse)793

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