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Name | SCHEMBL343855 |
---|---|
Molecular formula | C23H23ClN2O3S2 |
IUPAC name | 4-tert-butyl-N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]benzenesulfonamide |
Molecular weight | 475.018 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 6.4 |
Synonyms | CHEMBL3719075 4-tert-Butyl-N-[4-chloro-2-(2-methylsulfanyl-pyridine4-carbonyl)-phenyl]-benzenesulfonamide HXHMYYGSMXXGJS-UHFFFAOYSA-N 4-tert-Butyl-N-[4-chloro-2-(2-methylsulfanyl-pyridine-4-carbonyl)-phenyl]-benzenesulfonamide |
Inchi Key | HXHMYYGSMXXGJS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H23ClN2O3S2/c1-23(2,3)16-5-8-18(9-6-16)31(28,29)26-20-10-7-17(24)14-19(20)22(27)15-11-12-25-21(13-15)30-4/h5-14,26H,1-4H3 |
PubChem CID | 10096486 |
ChEMBL | CHEMBL3719075 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
525191 | 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