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Ligand

NameCHEMBL250687
Molecular formulaC22H28N6O3S
IUPAC name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[7-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol
Molecular weight456.565
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.7
SynonymsN/A
Inchi KeyBFPCQWHCVRJEKL-GJWPJNNNSA-N
Inchi IDInChI=1S/C22H28N6O3S/c1-2-8-32-22-24-20(23-15-10-14(15)12-6-4-3-5-7-12)17-21(25-22)28(27-26-17)16-9-13(11-29)18(30)19(16)31/h3-7,13-16,18-19,29-31H,2,8-11H2,1H3,(H,23,24,25)/t13-,14+,15-,16-,18-,19+/m1/s1
PubChem CID9846875
ChEMBLCHEMBL250687
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
22509P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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