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Name | SCHEMBL343122 |
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Molecular formula | C22H21ClN2O4S |
IUPAC name | N-[4-chloro-2-(2-methylpyridine-3-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide |
Molecular weight | 444.93 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | CWBAWOIXWPTTBS-UHFFFAOYSA-N N-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenyl]-4-isopropoxy-benzenesulfonamide CHEMBL3718525 |
Inchi Key | CWBAWOIXWPTTBS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21ClN2O4S/c1-14(2)29-17-7-9-18(10-8-17)30(27,28)25-21-11-6-16(23)13-20(21)22(26)19-5-4-12-24-15(19)3/h4-14,25H,1-3H3 |
PubChem CID | 10366204 |
ChEMBL | CHEMBL3718525 |
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 |
---|---|---|---|---|---|
523050 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417