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Name | CHEMBL401859 |
---|---|
Molecular formula | C26H18N3O5S- |
IUPAC name | 1-amino-4-(4-anilinoanilino)-9,10-dioxoanthracene-2-sulfonate |
Molecular weight | 484.506 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.0 |
Synonyms | sodium 1-amino-9,10-dioxo-4-(4-(phenylamino)phenylamino)-9,10-dihydroanthracene-2-sulfonate Sodium 1-amino-4-(4-anilinophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate BDBM50227016 |
Inchi Key | SLKPUOMONGLJQP-UHFFFAOYSA-M |
Inchi ID | InChI=1S/C26H19N3O5S/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15/h1-14,28-29H,27H2,(H,32,33,34)/p-1 |
PubChem CID | 91935664 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50227016 |
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 |
---|---|---|---|---|---|
317275 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
317274 | P2Y purinoceptor 2 | P35383 | P2ry2 | Mus musculus (Mouse) | 373 |
317276 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
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