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Ligand

NameCHEMBL122703
Molecular formulaC15H17N3O2
IUPAC namemethyl 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylate
Molecular weight271.32
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
Synonyms4-Benzyl-2-dimethylamino-pyrimidine-5-carboxylic acid methyl ester
2-(Dimethylamino)-4-benzylpyrimidine-5-carboxylic acid methyl ester
BDBM50053171
Inchi KeyALGPHWKOWZYGMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H17N3O2/c1-18(2)15-16-10-12(14(19)20-3)13(17-15)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
PubChem CID10849731
ChEMBLCHEMBL122703
IUPHARN/A
BindingDB50053171
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
8256Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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