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Name | CHEMBL3800351 |
---|---|
Molecular formula | C25H24ClN3O4S |
IUPAC name | 4-tert-butyl-N-[7-chloro-1,3-dioxo-2-(2-pyridin-3-ylethyl)isoindol-4-yl]benzenesulfonamide |
Molecular weight | 497.994 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | SCHEMBL16863079 |
Inchi Key | GFSNBOJIVAEWJJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H24ClN3O4S/c1-25(2,3)17-6-8-18(9-7-17)34(32,33)28-20-11-10-19(26)21-22(20)24(31)29(23(21)30)14-12-16-5-4-13-27-15-16/h4-11,13,15,28H,12,14H2,1-3H3 |
PubChem CID | 118197543 |
ChEMBL | CHEMBL3800351 |
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 |
---|---|---|---|---|---|
524261 | 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