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Ligand

NameCHEMBL104752
Molecular formulaC12H18ClN5O8P2
IUPAC name[2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-1-(phosphonooxymethyl)cyclopropyl]methyl dihydrogen phosphate
Molecular weight457.701
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.8
SynonymsBDBM50104021
2-Chloro-9-[2,2-bis(phosphonooxymethyl)cyclopropylmethyl]-N-methyl-9H-purine-6-amine
Phosphoric acid mono-[2-(2-chloro-6-methylamino-purin-9-ylmethyl)-1-phosphonooxymethyl-cyclopropylmethyl] ester
Inchi KeyJOOHTGMCSCZVNR-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H18ClN5O8P2/c1-14-9-8-10(17-11(13)16-9)18(6-15-8)3-7-2-12(7,4-25-27(19,20)21)5-26-28(22,23)24/h6-7H,2-5H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)
PubChem CID10939431
ChEMBLCHEMBL104752
IUPHARN/A
BindingDB50104021
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
156086P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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