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Ligand

NameCHEMBL1085616
Molecular formulaC25H24F2N4O4
IUPAC name5-(3,5-difluorophenyl)-2-[[3-[1-(5-hydroxypyridin-2-yl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
Molecular weight482.488
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.8
Synonyms5-(3,5-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2-methylpropanamido)cyclohex-1-enecarboxylicacid
BDBM50319241
Inchi KeyCGDIEFVZLOERLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24F2N4O4/c1-14(8-19-6-7-31(30-19)23-5-3-20(32)13-28-23)24(33)29-22-4-2-15(11-21(22)25(34)35)16-9-17(26)12-18(27)10-16/h3,5-7,9-10,12-15,32H,2,4,8,11H2,1H3,(H,29,33)(H,34,35)
PubChem CID46890301
ChEMBLCHEMBL1085616
IUPHARN/A
BindingDB50319241
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
41210Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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