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Ligand

NameCHEMBL52352
Molecular formulaC17H23NO3
IUPAC name5-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylpentanenitrile
Molecular weight289.375
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
Synonyms4'-(4-Cyano-4-methylpentyloxy)-5'-ethyl-2'-hydroxyacetophenone
SCHEMBL9417910
Inchi KeyFDGDFIHZRUIPGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H23NO3/c1-5-13-9-14(12(2)19)15(20)10-16(13)21-8-6-7-17(3,4)11-18/h9-10,20H,5-8H2,1-4H3
PubChem CID14820116
ChEMBLCHEMBL52352
IUPHARN/A
BindingDBN/A
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
75563Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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