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Ligand

NameCHEMBL607666
Molecular formulaC18H21N5O4
IUPAC name(3R,4S,5R)-2-[6-(3-ethylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight371.397
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.0
SynonymsBDBM50367498
Inchi KeyGRUMNHDNZLNMIX-PZGKNFOESA-N
Inchi IDInChI=1S/C18H21N5O4/c1-2-10-4-3-5-11(6-10)22-16-13-17(20-8-19-16)23(9-21-13)18-15(26)14(25)12(7-24)27-18/h3-6,8-9,12,14-15,18,24-26H,2,7H2,1H3,(H,19,20,22)/t12-,14-,15-,18?/m1/s1
PubChem CID46877016
ChEMBLCHEMBL607666
IUPHARN/A
BindingDB50367498
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
103778Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324

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