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Ligand

NameCHEMBL339386
Molecular formulaC23H24N5O14P3
IUPAC name[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-phenylbenzoate
Molecular weight687.387
Hydrogen bond acceptor18
Hydrogen bond donor6
XlogP-1.9
SynonymsBDBM50118219
Inchi KeyMUYAADFIZYSSNL-WGQQHEPDSA-N
Inchi IDInChI=1S/C23H24N5O14P3/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(40-23(30)15-8-6-14(7-9-15)13-4-2-1-3-5-13)18(29)16(39-22)10-38-44(34,35)42-45(36,37)41-43(31,32)33/h1-9,11-12,16,18-19,22,29H,10H2,(H,34,35)(H,36,37)(H2,24,25,26)(H2,31,32,33)/t16-,18-,19-,22-/m1/s1
PubChem CID44353592
ChEMBLCHEMBL339386
IUPHARN/A
BindingDB50118219
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
214762P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374

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