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Ligand

NameCHEMBL3098240
Molecular formulaC21H24F2N6O4S
IUPAC name(1S,2S,3S,4S)-5-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3,4-tetrol
Molecular weight494.518
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP1.2
SynonymsBDBM50445018
Inchi KeyJRAHGLNTLSHYGH-BMCBOHOYSA-N
Inchi IDInChI=1S/C21H24F2N6O4S/c1-2-5-34-21-25-19(24-12-7-9(12)8-3-4-10(22)11(23)6-8)13-20(26-21)29(28-27-13)14-15(30)17(32)18(33)16(14)31/h3-4,6,9,12,14-18,30-33H,2,5,7H2,1H3,(H,24,25,26)/t9-,12+,15-,16-,17-,18-/m0/s1
PubChem CID71607553
ChEMBLCHEMBL3098240
IUPHARN/A
BindingDB50445018
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
157835P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
157836P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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