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Ligand

NameCHEMBL53934
Molecular formulaC18H17NO3
IUPAC name3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzonitrile
Molecular weight295.338
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsZINC10133
2'-Hydroxy-5'-ethyl-4'-[(3-cyanobenzyl)oxy]acetophenone
BYCRBBDYGNDDMI-UHFFFAOYSA-N
L002885
3-[(4-acetyl-5-hydroxy-2-ethylphenoxy)methyl]benzonitrile
[ Show all ]
Inchi KeyBYCRBBDYGNDDMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17NO3/c1-3-15-8-16(12(2)20)17(21)9-18(15)22-11-14-6-4-5-13(7-14)10-19/h4-9,21H,3,11H2,1-2H3
PubChem CID14820097
ChEMBLCHEMBL53934
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
35689Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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