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Ligand

NameCHEMBL431649
Molecular formulaC11H16ClN5O8P2
IUPAC name[2-[2-chloro-6-(methylamino)purin-9-yl]-1-(phosphonooxymethyl)cyclopropyl]methyl dihydrogen phosphate
Molecular weight443.674
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-2.0
SynonymsBDBM50104028
2-Chloro-9-[2,2-bis(phosphonooxymethyl)cyclopropyl]-N-methyl-9H-purine-6-amine
Phosphoric acid mono-[2-(2-chloro-6-methylamino-purin-9-yl)-1-phosphonooxymethyl-cyclopropylmethyl] ester
Inchi KeyIKGWLEDSKVGOTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16ClN5O8P2/c1-13-8-7-9(16-10(12)15-8)17(5-14-7)6-2-11(6,3-24-26(18,19)20)4-25-27(21,22)23/h5-6H,2-4H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
PubChem CID10873926
ChEMBLCHEMBL431649
IUPHARN/A
BindingDB50104028
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
135293P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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