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Name | SCHEMBL344423 |
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Molecular formula | C23H21ClN2O6S |
IUPAC name | methyl 3-[4-[[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate |
Molecular weight | 488.939 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | CHEMBL3715269 |
Inchi Key | JBOCAVWGWXRRSG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H21ClN2O6S/c1-15-3-7-17(14-26(15)29)23(28)20-13-18(24)8-11-21(20)25-33(30,31)19-9-4-16(5-10-19)6-12-22(27)32-2/h3-5,7-11,13-14,25H,6,12H2,1-2H3 |
PubChem CID | 10074256 |
ChEMBL | CHEMBL3715269 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
525755 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218