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Ligand

NameCHEMBL79201
Molecular formulaC14H14N6OS
IUPAC name3-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropanamide
Molecular weight314.367
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.2
Synonyms3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-propionamide
3-(1-Phenyl-4-amino-1H-pyrazolo[3,4-d]pyrimidine-6-ylthio)propionamide
BDBM50285554
SCHEMBL1755064
Inchi KeyAFXKLUCTBPZBAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)
PubChem CID10267647
ChEMBLCHEMBL79201
IUPHARN/A
BindingDB50285554
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4588Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
4589Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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