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Ligand

NameCHEMBL54873
Molecular formulaC24H35NO3
IUPAC name5-(4-decanoyl-5-hydroxy-2-prop-2-enylphenoxy)pentanenitrile
Molecular weight385.548
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP7.3
SynonymsSCHEMBL9417832
1-[2-Hydroxy-4-(4-cyanobutoxy)-5-(2-propenyl)phenyl]-1-decanone
5-[5-hydroxy-4-(1-oxodecyl)-2-(2-propenyl)phenoxy]pentanenitrile
Inchi KeyBLHKXAWGQVESIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H35NO3/c1-3-5-6-7-8-9-11-15-22(26)21-18-20(14-4-2)24(19-23(21)27)28-17-13-10-12-16-25/h4,18-19,27H,2-3,5-15,17H2,1H3
PubChem CID14820157
ChEMBLCHEMBL54873
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26660Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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