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Ligand

NameCHEMBL299404
Molecular formulaC19H27NO3
IUPAC name7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile
Molecular weight317.429
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsAAJFXRIGBIFCRC-UHFFFAOYSA-N
SCHEMBL9417857
4'-(6-Cyano-6-methylheptyloxy)-5'-ethyl-2'-hydroxyacetophenone
ZINC13650553
7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile
Inchi KeyAAJFXRIGBIFCRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27NO3/c1-5-15-11-16(14(2)21)17(22)12-18(15)23-10-8-6-7-9-19(3,4)13-20/h11-12,22H,5-10H2,1-4H3
PubChem CID14820102
ChEMBLCHEMBL299404
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
251Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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