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Name | CHEMBL3098240 |
---|---|
Molecular formula | C21H24F2N6O4S |
IUPAC name | (1S,2S,3S,4S)-5-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3,4-tetrol |
Molecular weight | 494.518 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 5 |
XlogP | 1.2 |
Synonyms | BDBM50445018 |
Inchi Key | JRAHGLNTLSHYGH-BMCBOHOYSA-N |
Inchi ID | InChI=1S/C21H24F2N6O4S/c1-2-5-34-21-25-19(24-12-7-9(12)8-3-4-10(22)11(23)6-8)13-20(26-21)29(28-27-13)14-15(30)17(32)18(33)16(14)31/h3-4,6,9,12,14-18,30-33H,2,5,7H2,1H3,(H,24,25,26)/t9-,12+,15-,16-,17-,18-/m0/s1 |
PubChem CID | 71607553 |
ChEMBL | CHEMBL3098240 |
IUPHAR | N/A |
BindingDB | 50445018 |
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 |
---|---|---|---|---|---|
157835 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
157836 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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