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Ligand

NameCHEMBL610386
Molecular formulaC13H19N5O5
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(3-hydroxypropylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight325.325
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-0.2
SynonymsBDBM50368542
Inchi KeyAFTUQDRYZGNMJC-RJNFYWFKSA-N
Inchi IDInChI=1S/C13H19N5O5/c19-3-1-2-14-11-8-12(16-5-15-11)18(6-17-8)13-10(22)9(21)7(4-20)23-13/h5-7,9-10,13,19-22H,1-4H2,(H,14,15,16)/t7-,9-,10-,13?/m1/s1
PubChem CID46875735
ChEMBLCHEMBL610386
IUPHARN/A
BindingDB50368542
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
4487Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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