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Ligand

NameCHEMBL161628
Molecular formulaC17H13N7O2
IUPAC name3-benzyl-N-(3-nitrophenyl)triazolo[4,5-d]pyrimidin-7-amine
Molecular weight347.338
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50063206
(3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-(3-nitro-phenyl)-amine
Inchi KeyDCWROPQJULHSRR-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H13N7O2/c25-24(26)14-8-4-7-13(9-14)20-16-15-17(19-11-18-16)23(22-21-15)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,19,20)
PubChem CID10545596
ChEMBLCHEMBL161628
IUPHARN/A
BindingDB50063206
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
56818Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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