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Ligand

NameCHEMBL3098239
Molecular formulaC23H28F2N6O5S
IUPAC name(1S,2S,3S,4R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2,4-triol
Molecular weight538.571
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP1.1
SynonymsBDBM50445019
Inchi KeyVSUYQYJCUQYWIB-QIIUYWKJSA-N
Inchi IDInChI=1S/C23H28F2N6O5S/c1-2-7-37-23-27-21(26-14-9-11(14)10-3-4-12(24)13(25)8-10)15-22(28-23)31(30-29-15)16-17(33)19(35)20(18(16)34)36-6-5-32/h3-4,8,11,14,16-20,32-35H,2,5-7,9H2,1H3,(H,26,27,28)/t11-,14+,16-,17-,18+,19-,20-/m0/s1
PubChem CID71607634
ChEMBLCHEMBL3098239
IUPHARN/A
BindingDB50445019
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
363335P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
363336P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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