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Name | CHEMBL496030 |
---|---|
Molecular formula | C20H13N2O6S- |
IUPAC name | 1-amino-4-(4-hydroxyanilino)-9,10-dioxoanthracene-2-sulfonate |
Molecular weight | 409.392 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 3.1 |
Synonyms | sodium 1-amino-4-(4-hydroxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate BDBM50268725 |
Inchi Key | KFBGXLCLNATBFL-UHFFFAOYSA-M |
Inchi ID | InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1 |
PubChem CID | 59448191 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50268725 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
167573 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
167576 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
167577 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
167574 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
167575 | P2Y purinoceptor 6 | Q63371 | P2ry6 | Rattus norvegicus (Rat) | 328 |
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