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Ligand

NameCHEMBL3979766
Molecular formulaC23H22N2O5
IUPAC namepropyl 4-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]benzoate
Molecular weight406.438
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsAKOS000624467
Oprea1_247520
propyl 4-[(2-hydroxy-4-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]benzoate
STK054775
AC1LYO95
[ Show all ]
Inchi KeyCUKVXJRCLAGDMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N2O5/c1-3-13-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)24-16-11-9-15(10-12-16)23(29)30-14-4-2/h3,5-12,26H,1,4,13-14H2,2H3,(H,24,27)
PubChem CID54697820
ChEMBLCHEMBL3979766
IUPHARN/A
BindingDB50196088
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
537255Smoothened homologP56726SmoMus musculus (Mouse)793

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