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Ligand

NameCHEMBL3098236
Molecular formulaC22H29N7O4S
IUPAC name(1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-[5-propylsulfanyl-7-[[(1R,2S)-2-pyridin-3-ylcyclopropyl]amino]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol
Molecular weight487.579
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP0.8
SynonymsBDBM50445021
Inchi KeyKXQBKDNWKZSZJY-ATDUKWRYSA-N
Inchi IDInChI=1S/C22H29N7O4S/c1-2-8-34-22-25-20(24-14-9-13(14)12-4-3-5-23-11-12)17-21(26-22)29(28-27-17)15-10-16(33-7-6-30)19(32)18(15)31/h3-5,11,13-16,18-19,30-32H,2,6-10H2,1H3,(H,24,25,26)/t13-,14+,15+,16-,18-,19+/m0/s1
PubChem CID71607662
ChEMBLCHEMBL3098236
IUPHARN/A
BindingDB50445021
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
180672P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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