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Ligand

NameCHEMBL1084030
Molecular formulaC23H21FN4O5
IUPAC name5-(3-fluorophenyl)-2-[3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid
Molecular weight452.442
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.7
Synonyms5-(3-fluorophenyl)-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid
BDBM50319110
SCHEMBL13920667
Inchi KeyBPWZRSNPRSKPQW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21FN4O5/c24-15-3-1-2-13(10-15)14-4-6-18(17(11-14)23(31)32)26-20(30)8-9-21-27-22(28-33-21)19-7-5-16(29)12-25-19/h1-3,5,7,10,12,14,29H,4,6,8-9,11H2,(H,26,30)(H,31,32)
PubChem CID135966934
ChEMBLCHEMBL1084030
IUPHARN/A
BindingDB50319110
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
558189Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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