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Ligand

NameCHEMBL17673
Molecular formulaC18H16ClFN2O2S
IUPAC name4-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]sulfanylbutanoic acid
Molecular weight378.846
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
Synonyms4-[[1-(4-Chlorobenzyl)-5-fluoro-1H-benzimidazol-2-yl]thio]butyric acid
SCHEMBL9683250
Inchi KeyAVLQKFAGRWDANO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16ClFN2O2S/c19-13-5-3-12(4-6-13)11-22-16-8-7-14(20)10-15(16)21-18(22)25-9-1-2-17(23)24/h3-8,10H,1-2,9,11H2,(H,23,24)
PubChem CID14953068
ChEMBLCHEMBL17673
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
15400Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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