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Ligand

NameCHEMBL2204441
Molecular formulaC22H21NO4
IUPAC name(3R)-1-[4-[2-(4-methoxyphenyl)ethynyl]benzoyl]piperidine-3-carboxylic acid
Molecular weight363.413
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50401094
VU0463591-1
Inchi KeyIVBZEDXONVQDIV-LJQANCHMSA-N
Inchi IDInChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m1/s1
PubChem CID56587980
ChEMBLCHEMBL2204441
IUPHARN/A
BindingDB50401094
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
142521Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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