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Ligand

NameCHEMBL2164854
Molecular formulaC31H34N6O2
IUPAC name(2S)-N-[1-[2-(dimethylamino)ethyl]-2-oxo-5-pyridin-4-ylpyridin-3-yl]-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
Molecular weight522.653
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM50395781
Inchi KeyCFUQJRQSRBNLSO-SANMLTNESA-N
Inchi IDInChI=1S/C31H34N6O2/c1-36(2)18-19-37-22-25(24-11-16-32-17-12-24)21-27(30(37)39)34-29(38)26(20-23-8-4-3-5-9-23)35-31(13-14-31)28-10-6-7-15-33-28/h3-12,15-17,21-22,26,35H,13-14,18-20H2,1-2H3,(H,34,38)/t26-/m0/s1
PubChem CID71462293
ChEMBLCHEMBL2164854
IUPHARN/A
BindingDB50395781
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
41008Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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