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Ligand

NameCHEMBL158859
Molecular formulaC16H17ClN6
IUPAC name3-[(2-chlorophenyl)methyl]-N-cyclopentyltriazolo[4,5-d]pyrimidin-7-amine
Molecular weight328.804
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50063215
[3-(2-Chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-cyclopentyl-amine
Inchi KeyCNQPYIAZJVGLBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17ClN6/c17-13-8-4-1-5-11(13)9-23-16-14(21-22-23)15(18-10-19-16)20-12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,18,19,20)
PubChem CID10381887
ChEMBLCHEMBL158859
IUPHARN/A
BindingDB50063215
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
46258Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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