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Ligand

NameCHEMBL105100
Molecular formulaC13H18N4O2
IUPAC name8-cyclopentyl-3-propyl-7H-purine-2,6-dione
Molecular weight262.313
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.0
SynonymsCSJQHPSSYYSCPO-UHFFFAOYSA-N
8-Cyclopentyl-3-n-propylxanthine
3-Propyl-8-cyclopentylxanthine
SCHEMBL8118476
8-Cyclopentyl-3-propyl-3,7-dihydro-purine-2,6-dione
[ Show all ]
Inchi KeyCSJQHPSSYYSCPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H18N4O2/c1-2-7-17-11-9(12(18)16-13(17)19)14-10(15-11)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H,16,18,19)
PubChem CID15667090
ChEMBLCHEMBL105100
IUPHARN/A
BindingDB50004577
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
49519Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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