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Ligand

NameCHEMBL3924488
Molecular formulaC22H21FN2O
IUPAC name(3S,3aR,7aR)-3-[5-[2-(3-fluorophenyl)ethynyl]pyridin-2-yl]-1-methyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
Molecular weight348.421
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM196719
SCHEMBL13562408
US9212171, 41
Inchi KeyANKHAIGVTCEXMT-TYPHKJRUSA-N
Inchi IDInChI=1S/C22H21FN2O/c1-25-20-8-3-2-7-18(20)21(22(25)26)19-12-11-16(14-24-19)10-9-15-5-4-6-17(23)13-15/h4-6,11-14,18,20-21H,2-3,7-8H2,1H3/t18-,20+,21-/m0/s1
PubChem CID70937845
ChEMBLCHEMBL3924488
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536239Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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