EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:94771 - quisinostat
| Formula | C21H26N6O2 |
| Net Charge | 0 |
| Average Mass | 394.479 |
| Monoisotopic Mass | 394.21172 |
| SMILES | Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 |
| InChI | InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28) |
| InChIKey | PAWIYAYFNXQGAP-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 3.5.1.98 (histone deacetylase) inhibitor An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98). 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). antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| Applications: | bone density conservation agent An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. radiosensitizing agent A drug that makes increases the sensitivity of tumour cells to radiation therapy. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| quisinostat (CHEBI:94771) has role antimalarial (CHEBI:38068) |
| quisinostat (CHEBI:94771) has role antineoplastic agent (CHEBI:35610) |
| quisinostat (CHEBI:94771) has role autophagy inducer (CHEBI:138880) |
| quisinostat (CHEBI:94771) has role bone density conservation agent (CHEBI:50646) |
| quisinostat (CHEBI:94771) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115) |
| quisinostat (CHEBI:94771) has role radiosensitizing agent (CHEBI:132992) |
| quisinostat (CHEBI:94771) is a hydroxamic acid (CHEBI:24650) |
| quisinostat (CHEBI:94771) is a methylindole (CHEBI:38460) |
| quisinostat (CHEBI:94771) is a piperidines (CHEBI:26151) |
| quisinostat (CHEBI:94771) is a pyrimidines (CHEBI:39447) |
| quisinostat (CHEBI:94771) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| N-hydroxy-2-[4-({[(1-methyl-1H-indol-3-yl)methyl]amino}methyl)piperidin-1-yl]pyrimidine-5-carboxamide |
| INNs | Source |
|---|---|
| quisinostat | WHO MedNet |
| quisinostat | WHO MedNet |
| quisinostat | WHO MedNet |
| quisinostatum | WHO MedNet |
| Synonyms | Source |
|---|---|
| JNJ 26481585 | DrugBank |
| JNJ-26481585 | DrugBank |
| JNJ26481585 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| D10321 | KEGG DRUG |
| DB12985 | DrugBank |
| GOK | PDBeChem |
| LSM-5900 | LINCS |
| Quisinostat | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| CAS:875320-29-9 | KEGG DRUG |
| Citations |
|---|