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CHEBI:138488 - alsterpaullone
| Formula | C16H11N3O3 |
| Net Charge | 0 |
| Average Mass | 293.282 |
| Monoisotopic Mass | 293.08004 |
| SMILES | O=C1Cc2c(nc3ccc([N+](=O)[O-])cc23)-c2ccccc2N1 |
| InChI | InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) |
| InChIKey | OLUKILHGKRVDCT-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine. EC 2.7.11.22 (cyclin-dependent kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22). EC 2.7.11.26 (tau-protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of tau-protein kinase inhibitor (EC 2.7.11.26). anti-HIV-1 agent An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| alsterpaullone (CHEBI:138488) has functional parent paullone (CHEBI:138487) |
| alsterpaullone (CHEBI:138488) has role anti-HIV-1 agent (CHEBI:64947) |
| alsterpaullone (CHEBI:138488) has role antineoplastic agent (CHEBI:35610) |
| alsterpaullone (CHEBI:138488) has role apoptosis inducer (CHEBI:68495) |
| alsterpaullone (CHEBI:138488) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925) |
| alsterpaullone (CHEBI:138488) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665) |
| alsterpaullone (CHEBI:138488) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092) |
| alsterpaullone (CHEBI:138488) is a C-nitro compound (CHEBI:35716) |
| alsterpaullone (CHEBI:138488) is a caprolactams (CHEBI:23000) |
| alsterpaullone (CHEBI:138488) is a organic heterotetracyclic compound (CHEBI:38163) |
| IUPAC Name |
|---|
| 9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one |
| Synonyms | Source |
|---|---|
| 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE | PDBeChem |
| 9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one | PDBeChem |
| 9-nitropaullone | SUBMITTER |
| 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one | SUBMITTER |
| 14-nitro-8,18-diazatetracyclo[9.7.0.0{2,7}.0{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one | SUBMITTER |
| Citations |
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