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Ligand

NameCHEMBL3971451
Molecular formulaC23H24N2O5
IUPAC name4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
Molecular weight408.454
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.3
SynonymsAXXMRDVYSRUCIM-UHFFFAOYSA-N
4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoic acid
BDBM50196081
SCHEMBL6128980
Inchi KeyAXXMRDVYSRUCIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N2O5/c1-2-3-4-7-14-25-18-9-6-5-8-17(18)20(26)19(22(25)28)21(27)24-16-12-10-15(11-13-16)23(29)30/h5-6,8-13,26H,2-4,7,14H2,1H3,(H,24,27)(H,29,30)
PubChem CID57331381
ChEMBLCHEMBL3971451
IUPHARN/A
BindingDB50196081
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
536432Smoothened homologP56726SmoMus musculus (Mouse)793

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