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Ligand

NameCHEMBL1086031
Molecular formulaC27H25FN2O4
IUPAC name5-(2-fluoropyridin-3-yl)-2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid
Molecular weight460.505
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.7
SynonymsBDBM50319108
SCHEMBL13920616
5-(2-fluoropyridin-3-yl)-2-(3-(4''-hydroxybiphenyl-4-yl)propanamido)cyclohex-1-enecarboxylic acid
Inchi KeyCHKUMLQAKBGMAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25FN2O4/c28-26-22(2-1-15-29-26)20-10-13-24(23(16-20)27(33)34)30-25(32)14-5-17-3-6-18(7-4-17)19-8-11-21(31)12-9-19/h1-4,6-9,11-12,15,20,31H,5,10,13-14,16H2,(H,30,32)(H,33,34)
PubChem CID46890401
ChEMBLCHEMBL1086031
IUPHARN/A
BindingDB50319108
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
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GLASS IDNameUniProtGeneSpeciesLength
42079Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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