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Ligand

NameCHEMBL3237229
Molecular formulaC21H20F4N2O3
IUPAC name2-[5-fluoro-2-methyl-3-[[6-oxo-1-(4,4,4-trifluorobutyl)pyridin-3-yl]methyl]indol-1-yl]acetic acid
Molecular weight424.396
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50006871
SCHEMBL1757731
Inchi KeyAOSPJIRCOAPBCN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F4N2O3/c1-13-16(17-10-15(22)4-5-18(17)27(13)12-20(29)30)9-14-3-6-19(28)26(11-14)8-2-7-21(23,24)25/h3-6,10-11H,2,7-9,12H2,1H3,(H,29,30)
PubChem CID52919551
ChEMBLCHEMBL3237229
IUPHARN/A
BindingDB50006871
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
10569Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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