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Ligand

NameCHEMBL1770358
Molecular formulaC18H20FN5O4
IUPAC name(4R)-2-[[(2S)-2-amino-3-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]-4-methylcyclohexene-1-carboxylic acid
Molecular weight389.387
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP-0.8
SynonymsD05VGC
GTPL5789
BDBM50342520
compound 21 [PMID: 21185185]
(4R)-2-[[(2S)-2-amino-3-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]-4-methylcyclohexene-1-carboxylic acid
[ Show all ]
Inchi KeyCDYGJIFOATYSNF-SKDRFNHKSA-N
Inchi IDInChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1
PubChem CID53238781
ChEMBLCHEMBL1770358
IUPHAR5789
BindingDB50342520
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
39680Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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