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| Name | CHEMBL502519 |
|---|---|
| Molecular formula | C27H18N3O7S- |
| IUPAC name | 5-[(4-amino-3-carboxy-9,10-dioxoanthracen-1-yl)amino]-2-anilinobenzenesulfonate |
| Molecular weight | 528.515 |
| Hydrogen bond acceptor | 10 |
| Hydrogen bond donor | 4 |
| XlogP | 5.1 |
| Synonyms | Sodium 1-Amino-4-[4-phenylamino-3-carboxyphenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate BDBM50268964 |
| Inchi Key | AXJOHCCSBPPQTG-UHFFFAOYSA-M |
| Inchi ID | InChI=1S/C27H19N3O7S/c28-24-18(27(33)34)13-20(22-23(24)26(32)17-9-5-4-8-16(17)25(22)31)30-15-10-11-19(21(12-15)38(35,36)37)29-14-6-2-1-3-7-14/h1-13,29-30H,28H2,(H,33,34)(H,35,36,37)/p-1 |
| PubChem CID | 91935143 |
| ChEMBL | N/A |
| IUPHAR | N/A |
| BindingDB | 50268964 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 16744 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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