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Name | SCHEMBL344537 |
---|---|
Molecular formula | C25H25ClN2O5S |
IUPAC name | N-[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]-4-(4-methyloxan-4-yl)benzenesulfonamide |
Molecular weight | 500.994 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | CHEMBL3717549 |
Inchi Key | ITIVVPSRJXMQDB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H25ClN2O5S/c1-17-3-4-18(16-28(17)30)24(29)22-15-20(26)7-10-23(22)27-34(31,32)21-8-5-19(6-9-21)25(2)11-13-33-14-12-25/h3-10,15-16,27H,11-14H2,1-2H3 |
PubChem CID | 59788599 |
ChEMBL | CHEMBL3717549 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
525613 | 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