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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 |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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. 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). 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). |
| Applications: | radiosensitizing agent A drug that makes increases the sensitivity of tumour cells to radiation therapy. 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. 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 |
| quisinostatum | WHO MedNet |
| quisinostat | WHO MedNet |
| quisinostat | WHO MedNet |
| Synonyms | Source |
|---|---|
| JNJ 26481585 | DrugBank |
| JNJ26481585 | ChEBI |
| JNJ-26481585 | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| LSM-5900 | LINCS |
| Quisinostat | Wikipedia |
| D10321 | KEGG DRUG |
| DB12985 | DrugBank |
| GOK | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| CAS:875320-29-9 | KEGG DRUG |
| Citations |
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