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Name | CHEMBL331238 |
---|---|
Molecular formula | C14H16ClN3O12P2S |
IUPAC name | 4-chloro-3-[[5-hydroxy-6-methyl-3,4-bis(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzenesulfonic acid |
Molecular weight | 547.749 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 6 |
XlogP | -1.6 |
Synonyms | 4-Chloro-3-[3,4-bis(phosphonooxymethyl)-5-hydroxy-6-methyl-2-pyridylazo]benzenesulfonic acid 4-Chloro-3-(5-hydroxy-6-methyl-3,4-bis-phosphonooxymethyl-pyridin-2-ylazo)-benzenesulfonic acid BDBM50102303 |
Inchi Key | IANSGZBOXIJPDE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H16ClN3O12P2S/c1-7-13(19)9(5-29-31(20,21)22)10(6-30-32(23,24)25)14(16-7)18-17-12-4-8(33(26,27)28)2-3-11(12)15/h2-4,19H,5-6H2,1H3,(H2,20,21,22)(H2,23,24,25)(H,26,27,28) |
PubChem CID | 135528154 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50102303 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. 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 |
---|---|---|---|---|---|
561281 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
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