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Name | SCHEMBL343070 |
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Molecular formula | C21H19ClN2O3S2 |
IUPAC name | N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-ylsulfanylbenzenesulfonamide |
Molecular weight | 446.964 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | CHEMBL3717083 |
Inchi Key | CNSFANGYZDOBBZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H19ClN2O3S2/c1-14(2)28-17-4-6-18(7-5-17)29(26,27)24-20-8-3-16(22)13-19(20)21(25)15-9-11-23-12-10-15/h3-14,24H,1-2H3 |
PubChem CID | 59788727 |
ChEMBL | CHEMBL3717083 |
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 |
---|---|---|---|---|---|
522861 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417