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Name | 3-(4-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl)-propionic acid methyl ester |
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Molecular formula | C23H21ClN2O5S |
IUPAC name | methyl 3-[4-[[4-chloro-2-(2-methylpyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate |
Molecular weight | 472.94 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | SCHEMBL344225 CHEMBL3717061 3-{4-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester FYWBSYBXZYTZBM-UHFFFAOYSA-N |
Inchi Key | FYWBSYBXZYTZBM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H21ClN2O5S/c1-15-19(4-3-13-25-15)23(28)20-14-17(24)8-11-21(20)26-32(29,30)18-9-5-16(6-10-18)7-12-22(27)31-2/h3-6,8-11,13-14,26H,7,12H2,1-2H3 |
PubChem CID | 10027807 |
ChEMBL | CHEMBL3717061 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
524137 | 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