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Ligand

NameCHEMBL604656
Molecular formulaC12H17N5O5
IUPAC name(3R,4S,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight311.298
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-1.1
SynonymsSCHEMBL17470300
Inchi KeyBBOCDRLDMQHWJP-PUXKXDTASA-N
Inchi IDInChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12?/m1/s1
PubChem CID46874718
ChEMBLCHEMBL604656
IUPHARN/A
BindingDBN/A
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
19683Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466

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