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Name | CHEMBL3098234 |
---|---|
Molecular formula | C21H27ClN6O4S2 |
IUPAC name | (1S,2S,3R,5S)-3-[7-[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol |
Molecular weight | 527.055 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 4 |
XlogP | 2.5 |
Synonyms | BDBM50445023 |
Inchi Key | CULMUKSEFZTUGJ-FDIQVDDWSA-N |
Inchi ID | InChI=1S/C21H27ClN6O4S2/c1-2-7-33-21-24-19(23-11-8-10(11)14-3-4-15(22)34-14)16-20(25-21)28(27-26-16)12-9-13(32-6-5-29)18(31)17(12)30/h3-4,10-13,17-18,29-31H,2,5-9H2,1H3,(H,23,24,25)/t10-,11-,12-,13+,17+,18-/m1/s1 |
PubChem CID | 71607589 |
ChEMBL | CHEMBL3098234 |
IUPHAR | N/A |
BindingDB | 50445023 |
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 |
---|---|---|---|---|---|
50881 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
50882 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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