17-Nitro-1,9,15-triazapentacyclo[17.6.1.03,8.011,15.020,25]hexacosa-3,5,7,19(26),20,22,24-heptaene-2,10,16-trione
| Internal ID | 7760ac5b-134e-47ad-a85d-db5e00a3ebb7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 17-nitro-1,9,15-triazapentacyclo[17.6.1.03,8.011,15.020,25]hexacosa-3,5,7,19(26),20,22,24-heptaene-2,10,16-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H20N4O5/c28-21-19-10-5-11-25(19)23(30)20(27(31)32)12-14-13-26(18-9-4-2-6-15(14)18)22(29)16-7-1-3-8-17(16)24-21/h1-4,6-9,13,19-20H,5,10-12H2,(H,24,28) |
| InChI Key | YQOXDTHSLKEXLH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20N4O5 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.14336975 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 2.80 |
| NSC-725984 |
![2D Structure of 17-Nitro-1,9,15-triazapentacyclo[17.6.1.03,8.011,15.020,25]hexacosa-3,5,7,19(26),20,22,24-heptaene-2,10,16-trione](https://plantaedb.com/storage/docs/compounds/2023/11/62d14b40-83a3-11ee-b172-356a895eb1c8.jpg "2D Structure of 17-Nitro-1,9,15-triazapentacyclo[17.6.1.03,8.011,15.020,25]hexacosa-3,5,7,19(26),20,22,24-heptaene-2,10,16-trione")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 98.84% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.96% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.77% | 82.69% |
| CHEMBL240 | Q12809 | HERG | 96.20% | 89.76% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 95.52% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.30% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.53% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.34% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 92.15% | 96.25% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.23% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 89.51% | 96.31% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.22% | 93.40% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.01% | 95.51% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.42% | 95.83% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.40% | 90.08% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 88.25% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.39% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.11% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.03% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.88% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.64% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.33% | 86.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.19% | 97.64% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.97% | 94.78% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.43% | 90.71% |
| CHEMBL4531 | P17931 | Galectin-3 | 84.33% | 96.90% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 83.02% | 94.50% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 82.71% | 91.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.88% | 100.00% |
| CHEMBL4237 | O75582 | Ribosomal protein S6 kinase alpha 5 | 81.88% | 91.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.79% | 92.12% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.54% | 96.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.25% | 91.49% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.23% | 92.67% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.19% | 95.48% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 24202800 |
| LOTUS | LTS0008588 |
| wikiData | Q105352421 |