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Name | CHEMBL1672105 |
---|---|
Molecular formula | C23H13Cl2N6O5S- |
IUPAC name | 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anilino]-9,10-dioxoanthracene-2-sulfonate |
Molecular weight | 556.354 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 3 |
XlogP | 5.3 |
Synonyms | Sodium 1-Amino-4-[3-(4,6-dichloro[1,3,5]triazine-2-ylamino)-phenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate BDBM50336796 |
Inchi Key | BLCUJFVIEUPNOP-UHFFFAOYSA-M |
Inchi ID | InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-5-3-4-10(8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-6-1-2-7-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)/p-1 |
PubChem CID | 91932506 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50336796 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
26412 | P2Y purinoceptor 2 | P41231 | P2RY2 | Homo sapiens (Human) | 377 |
26413 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
26411 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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