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Name | CHEMBL3799828 |
---|---|
Molecular formula | C24H19ClN4O4S |
IUPAC name | 4-tert-butyl-N-[7-chloro-2-(6-cyanopyridin-2-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide |
Molecular weight | 494.95 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | SCHEMBL16871200 |
Inchi Key | HWCVTTJFBIUGNN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H19ClN4O4S/c1-24(2,3)14-7-9-16(10-8-14)34(32,33)28-18-12-11-17(25)20-21(18)23(31)29(22(20)30)19-6-4-5-15(13-26)27-19/h4-12,28H,1-3H3 |
PubChem CID | 118204600 |
ChEMBL | CHEMBL3799828 |
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 |
---|---|---|---|---|---|
525170 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417