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Ligand

NameCHEMBL53013
Molecular formulaC14H15NO4
IUPAC name5-(4-acetyl-2-formyl-5-hydroxyphenoxy)pentanenitrile
Molecular weight261.277
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.6
SynonymsSCHEMBL9417774
ZINC13650541
Inchi KeyCRWJZSRHRSYRKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15NO4/c1-10(17)12-7-11(9-16)14(8-13(12)18)19-6-4-2-3-5-15/h7-9,18H,2-4,6H2,1H3
PubChem CID15747278
ChEMBLCHEMBL53013
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
49183Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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