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Ligand

NameCHEMBL319906
Molecular formulaC10H17ClN5O11P3
IUPAC name[2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] phosphono hydrogen phosphate
Molecular weight511.641
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-3.1
Synonyms2-Chloro-9-[2-(phosphonooxyphosphonyloxymethyl)-3-(phosphonooxy)propyl]-N-methyl-9H-purine-6-amine
BDBM50104022
3-[2-chloro-6-(methylamino)-9H-purin-9-yl]-2-[(phosphonooxy)methyl]propyl trihydrogen diphosphate
Inchi KeyCXRWQFIVVVLDKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H17ClN5O11P3/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-25-28(17,18)19)4-26-30(23,24)27-29(20,21)22/h5-6H,2-4H2,1H3,(H,23,24)(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
PubChem CID10907366
ChEMBLCHEMBL319906
IUPHARN/A
BindingDB50104022
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53090P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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