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Ligand

NameCHEMBL605042
Molecular formulaC17H19N5O4
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(4-methylanilino)purin-9-yl]oxolane-3,4-diol
Molecular weight357.37
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.5
SynonymsSCHEMBL16363303
BDBM50367273
Inchi KeyNCYHIILDKSQWGE-IKYDMHQPSA-N
Inchi IDInChI=1S/C17H19N5O4/c1-9-2-4-10(5-3-9)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)26-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1
PubChem CID46874334
ChEMBLCHEMBL605042
IUPHARN/A
BindingDB50367273
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
220322Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324
220323Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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