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Name | CHEMBL3098247 |
---|---|
Molecular formula | C21H23F3N6O2S |
IUPAC name | (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-fluorocyclopentane-1,2-diol |
Molecular weight | 480.51 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 3 |
XlogP | 3.2 |
Synonyms | BDBM50445015 |
Inchi Key | PYVGFJFYDCNFII-FJPIFFLYSA-N |
Inchi ID | InChI=1S/C21H23F3N6O2S/c1-2-5-33-21-26-19(25-14-7-10(14)9-3-4-11(22)12(23)6-9)16-20(27-21)30(29-28-16)15-8-13(24)17(31)18(15)32/h3-4,6,10,13-15,17-18,31-32H,2,5,7-8H2,1H3,(H,25,26,27)/t10-,13-,14+,15+,17+,18-/m0/s1 |
PubChem CID | 71607689 |
ChEMBL | CHEMBL3098247 |
IUPHAR | N/A |
BindingDB | 50445015 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
272372 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
272373 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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