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Ligand

NameCHEMBL3965788
Molecular formulaC24H26N2O5
IUPAC nameethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
Molecular weight422.481
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsAC1MED8E
ethyl 4-{[(4-hydroxy-2-oxo-1-pentyl-1,2-dihydro-3-quinolinyl)carbonyl]amino}benzoate
BAS 00505160
MolPort-001-731-553
368434-31-5
[ Show all ]
Inchi KeyFVHLUDQNADQGOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O5/c1-3-5-8-15-26-19-10-7-6-9-18(19)21(27)20(23(26)29)22(28)25-17-13-11-16(12-14-17)24(30)31-4-2/h6-7,9-14,27H,3-5,8,15H2,1-2H3,(H,25,28)
PubChem CID54676600
ChEMBLCHEMBL3965788
IUPHARN/A
BindingDB50196076
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
538187Smoothened homologP56726SmoMus musculus (Mouse)793

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