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Ligand

NameCHEMBL1162179
Molecular formulaC20H23N6O8P
IUPAC name[(3aR,4R,6R,6aR)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
Molecular weight506.412
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP-1.0
SynonymsBDBM50371581
Inchi KeyAYIRSJZCEKDTQS-AHQNTMFBSA-N
Inchi IDInChI=1S/C20H23N6O8P/c1-2-21-20(27)25-16-13-17(23-9-22-16)26(10-24-13)18-15-14(12(32-18)8-31-35(28,29)30)33-19(34-15)11-6-4-3-5-7-11/h3-7,9-10,12,14-15,18-19H,2,8H2,1H3,(H2,28,29,30)(H2,21,22,23,25,27)/t12-,14-,15-,18-,19?/m1/s1
PubChem CID16739157
ChEMBLCHEMBL1162179
IUPHARN/A
BindingDB50371581
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
17488P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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