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Name | SCHEMBL2167918 |
---|---|
Molecular formula | C22H19ClN2O5S |
IUPAC name | methyl 3-[4-[[4-chloro-2-(pyridine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoate |
Molecular weight | 458.913 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | CHEMBL3718771 |
Inchi Key | IOTIUSJITLYMIW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H19ClN2O5S/c1-30-21(26)9-4-15-2-6-18(7-3-15)31(28,29)25-20-8-5-17(23)14-19(20)22(27)16-10-12-24-13-11-16/h2-3,5-8,10-14,25H,4,9H2,1H3 |
PubChem CID | 20827660 |
ChEMBL | CHEMBL3718771 |
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 |
---|---|---|---|---|---|
525512 | 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