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Ligand

NameCHEMBL3939809
Molecular formulaC20H18F2N2O
IUPAC name3-[3-fluoro-5-[2-(3-fluorophenyl)ethynyl]pyridin-2-yl]-1,5,5-trimethylpyrrolidin-2-one
Molecular weight340.374
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.3
SynonymsUS9212171, 21
BDBM196696
SCHEMBL13516599
Inchi KeyAJFNPHWKEFNPOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18F2N2O/c1-20(2)11-16(19(25)24(20)3)18-17(22)10-14(12-23-18)8-7-13-5-4-6-15(21)9-13/h4-6,9-10,12,16H,11H2,1-3H3
PubChem CID70925661
ChEMBLCHEMBL3939809
IUPHARN/A
BindingDBN/A
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
536111Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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