You can:
Name | CHEMBL3098236 |
---|---|
Molecular formula | C22H29N7O4S |
IUPAC name | (1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-[5-propylsulfanyl-7-[[(1R,2S)-2-pyridin-3-ylcyclopropyl]amino]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol |
Molecular weight | 487.579 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 4 |
XlogP | 0.8 |
Synonyms | BDBM50445021 |
Inchi Key | KXQBKDNWKZSZJY-ATDUKWRYSA-N |
Inchi ID | InChI=1S/C22H29N7O4S/c1-2-8-34-22-25-20(24-14-9-13(14)12-4-3-5-23-11-12)17-21(26-22)29(28-27-17)15-10-16(33-7-6-30)19(32)18(15)31/h3-5,11,13-16,18-19,30-32H,2,6-10H2,1H3,(H,24,25,26)/t13-,14+,15+,16-,18-,19+/m0/s1 |
PubChem CID | 71607662 |
ChEMBL | CHEMBL3098236 |
IUPHAR | N/A |
BindingDB | 50445021 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
180672 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218