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Ligand

NameCHEMBL152488
Molecular formulaC16H21IN4O2
IUPAC name8-cyclopentyl-3-[(E)-3-iodoprop-1-enyl]-1-propyl-7H-purine-2,6-dione
Molecular weight428.274
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
Synonyms8-Cyclopentyl-3-((E)-3-iodo-propenyl)-1-propyl-3,7-dihydro-purine-2,6-dione
BDBM50062856
Inchi KeyAWIABVJVRSUEBQ-BJMVGYQFSA-N
Inchi IDInChI=1S/C16H21IN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h5,10-11H,2-4,6-9H2,1H3,(H,18,19)/b10-5+
PubChem CID44368268
ChEMBLCHEMBL152488
IUPHARN/A
BindingDB50062856
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
16043Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326

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