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Ligand

NameCHEMBL161711
Molecular formulaC17H19ClN6
IUPAC name3-[(2-chlorophenyl)methyl]-N-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
Molecular weight342.831
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsAC1LRY8P
3-[(2-chlorophenyl)methyl]-N-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
BDBM50063204
[3-(2-Chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-cyclohexyl-amine
Inchi KeyBYSSVQNLTAZSFM-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19ClN6/c18-14-9-5-4-6-12(14)10-24-17-15(22-23-24)16(19-11-20-17)21-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,20,21)
PubChem CID1455333
ChEMBLCHEMBL161711
IUPHARN/A
BindingDB50063204
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
36054Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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