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Ligand

NameCHEMBL460805
Molecular formulaC20H21N7O2
IUPAC name3-[[5-amino-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-N-methyl-N-propan-2-ylbenzamide
Molecular weight391.435
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50254350
SCHEMBL4054894
3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)-N-isopropyl-N-methylbenzamide
Inchi KeyAMKCCWCEGZXQCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N7O2/c1-12(2)26(3)19(28)14-7-4-6-13(10-14)11-27-18-17(24-25-27)16(22-20(21)23-18)15-8-5-9-29-15/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
PubChem CID21874520
ChEMBLCHEMBL460805
IUPHARN/A
BindingDB50254350
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8975Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
8974Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
8977Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
8976Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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