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Ligand

NameCHEMBL1771251
Molecular formulaC29H29N5O
IUPAC name4-(2-ethylphenyl)-N-(3-ethylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
Molecular weight463.585
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50343116
4-(2-ethylphenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
Inchi KeyKXMSYCOPFVTPLB-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29N5O/c1-3-20-9-7-12-23(17-20)31-29(35)34-16-14-26-25(19-34)27(24-13-6-5-10-21(24)4-2)33-28(32-26)22-11-8-15-30-18-22/h5-13,15,17-18H,3-4,14,16,19H2,1-2H3,(H,31,35)
PubChem CID54585446
ChEMBLCHEMBL1771251
IUPHARN/A
BindingDB50343116
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
180606P2Y purinoceptor 14Q9ESG6P2ry14Mus musculus (Mouse)338

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