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Ligand

NameCHEMBL1808881
Molecular formulaC21H23ClN2O
IUPAC name[2-[6-(3-chlorophenyl)-4-methylpyridin-3-yl]pyrrolidin-1-yl]-cyclobutylmethanone
Molecular weight354.878
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50349563
Inchi KeyAHQUYLCMIRTGRZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClN2O/c1-14-11-19(16-7-3-8-17(22)12-16)23-13-18(14)20-9-4-10-24(20)21(25)15-5-2-6-15/h3,7-8,11-13,15,20H,2,4-6,9-10H2,1H3
PubChem CID56670440
ChEMBLCHEMBL1808881
IUPHARN/A
BindingDB50349563
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
5810Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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