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Name | CHEMBL3604478 |
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Molecular formula | C22H23ClN2O3S |
IUPAC name | 4-tert-butyl-N-[4-chloro-2-[3-(hydroxymethyl)pyridin-2-yl]phenyl]benzenesulfonamide |
Molecular weight | 430.947 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50113447 |
Inchi Key | BEIRCCYWJWRLDH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23ClN2O3S/c1-22(2,3)16-6-9-18(10-7-16)29(27,28)25-20-11-8-17(23)13-19(20)21-15(14-26)5-4-12-24-21/h4-13,25-26H,14H2,1-3H3 |
PubChem CID | 122185742 |
ChEMBL | CHEMBL3604478 |
IUPHAR | N/A |
BindingDB | 50113447 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
465553 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
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