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Name | CHEMBL477339 |
---|---|
Molecular formula | C15H11N2O12PS2-4 |
IUPAC name | 4-[[3-formyl-4-hydroxy-5-methyl-2-(phosphonatooxymethyl)phenyl]diazenyl]benzene-1,3-disulfonate |
Molecular weight | 506.349 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 1 |
XlogP | -1.1 |
Synonyms | sodium (E)-4-((3-formyl-4-hydroxy-5-methyl-2-(phosphonatooxymethyl)phenyl)diazenyl)benzene-1,3-disulfonate BDBM50262422 |
Inchi Key | FFLAALLXNFGXRL-UHFFFAOYSA-J |
Inchi ID | InChI=1S/C15H15N2O12PS2/c1-8-4-13(11(7-29-30(20,21)22)10(6-18)15(8)19)17-16-12-3-2-9(31(23,24)25)5-14(12)32(26,27)28/h2-6,19H,7H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/p-4 |
PubChem CID | 136126657 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50262422 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
559692 | P2Y purinoceptor 4 | P51582 | P2RY4 | Homo sapiens (Human) | 365 |
559691 | P2Y purinoceptor 6 | Q15077 | P2RY6 | Homo sapiens (Human) | 328 |
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