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Ligand

NameCHEMBL3115773
Molecular formulaC20H25NO3
IUPAC name5-(2-hexylquinolin-3-yl)-5-oxopentanoic acid
Molecular weight327.424
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50446978
CNBJHCZSESRTBT-UHFFFAOYSA-N
5-(2-Hexyl-quinolin-3-yl)-5-oxo-pentanoic acid
SCHEMBL287359
Inchi KeyCNBJHCZSESRTBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25NO3/c1-2-3-4-5-11-18-16(19(22)12-8-13-20(23)24)14-15-9-6-7-10-17(15)21-18/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,23,24)
PubChem CID49802030
ChEMBLCHEMBL3115773
IUPHARN/A
BindingDB50446978
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
45909Oxoeicosanoid receptor 1Q8TDS5OXER1Homo sapiens (Human)423

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