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Ligand

NameCHEMBL52595
Molecular formulaC21H31NO3
IUPAC name9-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylnonanenitrile
Molecular weight345.483
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.9
Synonyms4'-(8-Cyano-8-methylnonyloxy)-5'-ethyl-2'-hydroxyacetophenone
Inchi KeyCTUIHTXFMPSGGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H31NO3/c1-5-17-13-18(16(2)23)19(24)14-20(17)25-12-10-8-6-7-9-11-21(3,4)15-22/h13-14,24H,5-12H2,1-4H3
PubChem CID15747303
ChEMBLCHEMBL52595
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
50443Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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