You can:
Name | CHEMBL3098246 |
---|---|
Molecular formula | C21H22F2N6O2S |
IUPAC name | (1S,2R,5R)-5-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopent-3-ene-1,2-diol |
Molecular weight | 460.504 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | 3.0 |
Synonyms | BDBM50445016 |
Inchi Key | JMLLYABYZDIYPB-BTNRLSLSSA-N |
Inchi ID | InChI=1S/C21H22F2N6O2S/c1-2-7-32-21-25-19(24-14-9-11(14)10-3-4-12(22)13(23)8-10)17-20(26-21)29(28-27-17)15-5-6-16(30)18(15)31/h3-6,8,11,14-16,18,30-31H,2,7,9H2,1H3,(H,24,25,26)/t11-,14+,15+,16+,18-/m0/s1 |
PubChem CID | 71607666 |
ChEMBL | CHEMBL3098246 |
IUPHAR | N/A |
BindingDB | 50445016 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
154529 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
154530 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218