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Name | SCHEMBL343866 |
---|---|
Molecular formula | C25H22ClN3O5S |
IUPAC name | N-[4-chloro-2-(6-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]-4-[2-(1,3-oxazol-2-yl)propan-2-yl]benzenesulfonamide |
Molecular weight | 511.977 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | CHEMBL3716777 |
Inchi Key | GWHVRWCMAXZEBZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H22ClN3O5S/c1-16-4-5-17(15-29(16)31)23(30)21-14-19(26)8-11-22(21)28-35(32,33)20-9-6-18(7-10-20)25(2,3)24-27-12-13-34-24/h4-15,28H,1-3H3 |
PubChem CID | 59788649 |
ChEMBL | CHEMBL3716777 |
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 |
---|---|---|---|---|---|
524641 | 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