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Ligand

NameCHEMBL605254
Molecular formulaC19H29N5O5
IUPAC name(3S,4R,5S)-2-[6-amino-2-(3-cyclohexylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight407.471
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50368250
Inchi KeyAXQPZHZXHWEFFP-QAYVNIIMSA-N
Inchi IDInChI=1S/C19H29N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)12(9-25)29-18)23-19(22-16)28-8-4-7-11-5-2-1-3-6-11/h10-12,14-15,18,25-27H,1-9H2,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1
PubChem CID46874383
ChEMBLCHEMBL605254
IUPHARN/A
BindingDB50368250
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
16981Adenosine receptor A1P47745ADORA1Cavia porcellus (Guinea pig)326

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