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Ligand

NameCHEMBL1162188
Molecular formulaC25H25N6O8P
IUPAC name[(3aR,4R,6R,6aR)-2-benzyl-4-[6-(phenylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
Molecular weight568.483
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP0.7
SynonymsBDBM50371585
Inchi KeyBLCWURQLZWBGTF-UEILJKQYSA-N
Inchi IDInChI=1S/C25H25N6O8P/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(17(37-24)12-36-40(33,34)35)38-18(39-21)11-15-7-3-1-4-8-15/h1-10,13-14,17-18,20-21,24H,11-12H2,(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18?,20-,21-,24-/m1/s1
PubChem CID16739124
ChEMBLCHEMBL1162188
IUPHARN/A
BindingDB50371585
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
26414P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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