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Ligand

NameCHEMBL3098246
Molecular formulaC21H22F2N6O2S
IUPAC name(1S,2R,5R)-5-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopent-3-ene-1,2-diol
Molecular weight460.504
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50445016
Inchi KeyJMLLYABYZDIYPB-BTNRLSLSSA-N
Inchi IDInChI=1S/C21H22F2N6O2S/c1-2-7-32-21-25-19(24-14-9-11(14)10-3-4-12(22)13(23)8-10)17-20(26-21)29(28-27-17)15-5-6-16(30)18(15)31/h3-6,8,11,14-16,18,30-31H,2,7,9H2,1H3,(H,24,25,26)/t11-,14+,15+,16+,18-/m0/s1
PubChem CID71607666
ChEMBLCHEMBL3098246
IUPHARN/A
BindingDB50445016
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
154529P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
154530P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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