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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: | 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). trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| 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 |
|---|