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Ligand

NameCHEMBL3098242
Molecular formulaC23H27F3N6O4S
IUPAC name(1S,2S,3S,4S,5R)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-4-fluoro-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Molecular weight540.562
Hydrogen bond acceptor13
Hydrogen bond donor4
XlogP2.1
SynonymsBDBM50445017
Inchi KeyADSXXBQAMBPANE-DFTGYOLMSA-N
Inchi IDInChI=1S/C23H27F3N6O4S/c1-2-7-37-23-28-21(27-14-9-11(14)10-3-4-12(24)13(25)8-10)16-22(29-23)32(31-30-16)17-15(26)20(36-6-5-33)19(35)18(17)34/h3-4,8,11,14-15,17-20,33-35H,2,5-7,9H2,1H3,(H,27,28,29)/t11-,14+,15-,17+,18-,19-,20-/m0/s1
PubChem CID71607632
ChEMBLCHEMBL3098242
IUPHARN/A
BindingDB50445017
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3056P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
3057P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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