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Ligand

NameCHEMBL1771458
Molecular formulaC27H26N6O
IUPAC nameN-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
Molecular weight450.546
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50343130
N-(3-ethylphenyl)-2-(pyrimidin-5-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
SCHEMBL13246243
Inchi KeyWBFZANJQMLFGOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N6O/c1-3-19-8-6-9-21(13-19)30-27(34)33-12-11-24-23(16-33)25(22-10-5-4-7-18(22)2)32-26(31-24)20-14-28-17-29-15-20/h4-10,13-15,17H,3,11-12,16H2,1-2H3,(H,30,34)
PubChem CID25157642
ChEMBLCHEMBL1771458
IUPHARN/A
BindingDB50343130
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
369212P2Y purinoceptor 14Q9ESG6P2ry14Mus musculus (Mouse)338

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