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Ligand

NameCHEMBL608800
Molecular formulaC16H16IN5O4
IUPAC name(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(4-iodoanilino)purin-9-yl]oxolane-3,4-diol
Molecular weight469.239
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.8
SynonymsBDBM50367494
Inchi KeyWDGFDTMMTJGMAN-AARXTDBFSA-N
Inchi IDInChI=1S/C16H16IN5O4/c17-8-1-3-9(4-2-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
PubChem CID10434820
ChEMBLCHEMBL608800
IUPHARN/A
BindingDB50367494
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
370583Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324

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