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CHEBI:94490 - danusertib
| Formula | C26H30N6O3 |
| Net Charge | 0 |
| Average Mass | 474.565 |
| Monoisotopic Mass | 474.23794 |
| SMILES | CO[C@@H](C(=O)N1Cc2nnc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 |
| InChI | InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 |
| InChIKey | XKFTZKGMDDZMJI-HSZRJFAPSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. Aurora kinase inhibitor Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation). |
| Applications: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| danusertib (CHEBI:94490) has role antineoplastic agent (CHEBI:35610) |
| danusertib (CHEBI:94490) has role apoptosis inducer (CHEBI:68495) |
| danusertib (CHEBI:94490) has role Aurora kinase inhibitor (CHEBI:70770) |
| danusertib (CHEBI:94490) has role trypanocidal drug (CHEBI:36335) |
| danusertib (CHEBI:94490) is a N-methylpiperazine (CHEBI:46920) |
| danusertib (CHEBI:94490) is a benzamides (CHEBI:22702) |
| danusertib (CHEBI:94490) is a ether (CHEBI:25698) |
| danusertib (CHEBI:94490) is a pyrrolopyrazole (CHEBI:46866) |
| danusertib (CHEBI:94490) is a secondary carboxamide (CHEBI:140325) |
| danusertib (CHEBI:94490) is a tertiary carboxamide (CHEBI:140326) |
| IUPAC Name |
|---|
| N-{5-[(2R)-2-methoxy-2-phenylacetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide |
| INNs | Source |
|---|---|
| danusertib | WHO MedNet |
| danusertib | WHO MedNet |
| danusertib | WHO MedNet |
| danusertibum | WHO MedNet |
| Synonyms | Source |
|---|---|
| PHA 739358 | ChEBI |
| PHA-739358 | ChEBI |
| PHA739358 | ChEBI |
| Citations |
|---|