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Name | CHEMBL3098235 |
---|---|
Molecular formula | C21H29N7O4S2 |
IUPAC name | (1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-[7-[[(1R,2R)-2-(4-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol |
Molecular weight | 507.628 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 4 |
XlogP | 1.3 |
Synonyms | BDBM50445022 |
Inchi Key | MIKYSHFNQHAARM-IFMAEWBWSA-N |
Inchi ID | InChI=1S/C21H29N7O4S2/c1-3-6-33-21-24-19(23-12-7-11(12)18-10(2)22-9-34-18)15-20(25-21)28(27-26-15)13-8-14(32-5-4-29)17(31)16(13)30/h9,11-14,16-17,29-31H,3-8H2,1-2H3,(H,23,24,25)/t11-,12-,13-,14+,16+,17-/m1/s1 |
PubChem CID | 71607633 |
ChEMBL | CHEMBL3098235 |
IUPHAR | N/A |
BindingDB | 50445022 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
206294 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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