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Name | CHEMBL147238 |
---|---|
Molecular formula | C22H19N3O4S |
IUPAC name | N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1-oxidopyridin-1-ium-2-yl)phenyl]benzenesulfonamide |
Molecular weight | 421.471 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | BDBM50109662 L015409 4''-(1-Oxy-pyridin-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide N-(3,4-Dimethyl-5-isoxazolyl)-4'-[(pyridine 1-oxide)-2-yl]biphenyl-2-sulfonamide |
Inchi Key | AITOTEQUPDSIJB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H19N3O4S/c1-15-16(2)23-29-22(15)24-30(27,28)21-9-4-3-7-19(21)17-10-12-18(13-11-17)20-8-5-6-14-25(20)26/h3-14,24H,1-2H3 |
PubChem CID | 44213540 |
ChEMBL | CHEMBL147238 |
IUPHAR | N/A |
BindingDB | 50109662 |
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 |
---|---|---|---|---|---|
6513 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
6514 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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