EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:189647 - AZ3451
| Formula | C30H27BrN4O3 |
| Net Charge | 0 |
| Average Mass | 571.475 |
| Monoisotopic Mass | 570.12665 |
| SMILES | C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21 |
| InChI | InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1 |
| InChIKey | FJAOGFGHTPYADT-SFHVURJKSA-N |
| Roles Classification |
|---|
| Biological Roles: | PAR2 negative allosteric modulator a group of substances that bind to a receptor to change that receptor's response to stimulus. autophagy inducer Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). |
| Applications: | PAR2 negative allosteric modulator a group of substances that bind to a receptor to change that receptor's response to stimulus. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| AZ3451 (CHEBI:189647) has role anti-inflammatory agent (CHEBI:67079) |
| AZ3451 (CHEBI:189647) has role autophagy inducer (CHEBI:138880) |
| AZ3451 (CHEBI:189647) has role PAR2 negative allosteric modulator (CHEBI:189675) |
| AZ3451 (CHEBI:189647) is a benzimidazoles (CHEBI:22715) |
| AZ3451 (CHEBI:189647) is a benzodioxoles (CHEBI:38298) |
| AZ3451 (CHEBI:189647) is a nitrile (CHEBI:18379) |
| AZ3451 (CHEBI:189647) is a organobromine compound (CHEBI:37141) |
| AZ3451 (CHEBI:189647) is a secondary carboxamide (CHEBI:140325) |
| IUPAC Name |
|---|
| 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]-1H-benzimidazole-5-carboxamide |
| Synonyms | Source |
|---|---|
| AZ-3451 | ChEBI |
| AZ 3451 | ChEBI |
| Citations |
|---|