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Ligand

NameCHEMBL607881
Molecular formulaC15H20IN5O4
IUPAC name(3R,4S,5R)-2-[6-(cyclopentylamino)-2-iodopurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight461.26
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50366245
Inchi KeyADUQODSMIAKKMU-OYBGHCQBSA-N
Inchi IDInChI=1S/C15H20IN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14?/m1/s1
PubChem CID46876641
ChEMBLCHEMBL607881
IUPHARN/A
BindingDB50366245
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
3109Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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