EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
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: | 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. 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. 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 |
|---|