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CHEBI:92257 - IKK16
| Formula | C28H29N5OS |
| Net Charge | 0 |
| Average Mass | 483.641 |
| Monoisotopic Mass | 483.20928 |
| SMILES | O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1 |
| InChI | InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31) |
| InChIKey | BWZJBXAPRCVCKQ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| 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. NF-kappaB inhibitor An inhibitor of NF-κB (nuclear factor κ-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. EC 2.7.11.10 (IkappaB kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of IκB kinase (EC 2.7.11.10). |
| Application: | 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) |
| IKK16 (CHEBI:92257) has role antimalarial (CHEBI:38068) |
| IKK16 (CHEBI:92257) has role EC 2.7.11.10 (IκB kinase) inhibitor (CHEBI:77113) |
| IKK16 (CHEBI:92257) has role NF-κB inhibitor (CHEBI:73240) |
| IKK16 (CHEBI:92257) is a N-acylpiperidine (CHEBI:48591) |
| IKK16 (CHEBI:92257) is a 1-benzothiophenes (CHEBI:38836) |
| IKK16 (CHEBI:92257) is a aminopyrimidine (CHEBI:38338) |
| IKK16 (CHEBI:92257) is a benzamides (CHEBI:22702) |
| IKK16 (CHEBI:92257) is a pyrrolidines (CHEBI:38260) |
| IKK16 (CHEBI:92257) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone |
| Synonyms | Source |
|---|---|
| [4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | ChEBI |
| [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone | PDBeChem |
| IKK 16 | ChEBI |
| IKK-16 | ChEBI |
| IKK Inhibitor VII | ChEBI |
| Citations |
|---|