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Name | CHEMBL3098241 |
---|---|
Molecular formula | C21H23F3N6O3S |
IUPAC name | (1R,2S,3S,4S,5S)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-fluorocyclopentane-1,2,3-triol |
Molecular weight | 496.509 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 4 |
XlogP | 2.2 |
Synonyms | BDBM50445011 |
Inchi Key | JLYCDVDEIUIVQR-VQGFLVHSSA-N |
Inchi ID | InChI=1S/C21H23F3N6O3S/c1-2-5-34-21-26-19(25-12-7-9(12)8-3-4-10(22)11(23)6-8)14-20(27-21)30(29-28-14)15-13(24)16(31)18(33)17(15)32/h3-4,6,9,12-13,15-18,31-33H,2,5,7H2,1H3,(H,25,26,27)/t9-,12+,13-,15+,16-,17-,18+/m0/s1 |
PubChem CID | 71607631 |
ChEMBL | CHEMBL3098241 |
IUPHAR | N/A |
BindingDB | 50445011 |
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 |
---|---|---|---|---|---|
154131 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
154132 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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