DNA gyrase inhibitor EN-7
| Internal ID | 95c17b7d-485d-41e1-ace6-5e341e0152eb |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
| IUPAC Name | 5-phenyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]-1,2-oxazole-3-carbohydrazide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H16N4O3/c27-20(12-11-17-9-4-8-16-10-5-13-23-21(16)17)24-25-22(28)18-14-19(29-26-18)15-6-2-1-3-7-15/h1-14H,(H,24,27)(H,25,28)/b12-11+ |
| InChI Key | YNLHWIVUTDVBHA-VAWYXSNFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H16N4O3 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.12224039 g/mol |
| Topological Polar Surface Area (TPSA) | 97.10 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.31% | 90.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 98.04% | 81.11% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 97.96% | 83.57% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.53% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.69% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.28% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.73% | 86.33% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 93.15% | 88.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 92.74% | 87.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.68% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.63% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.35% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.66% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.79% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.55% | 95.50% |
| CHEMBL3891 | P07384 | Calpain 1 | 89.46% | 93.04% |
| CHEMBL288 | Q08499 | Phosphodiesterase 4D | 89.36% | 97.50% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.35% | 93.10% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.62% | 94.62% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 87.69% | 95.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.38% | 95.56% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 86.85% | 95.72% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.24% | 89.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.78% | 99.15% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 84.68% | 89.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.32% | 96.09% |
| CHEMBL254 | P27815 | Phosphodiesterase 4A | 82.94% | 93.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.34% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.04% | 90.20% |
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 | 25637832 |
| LOTUS | LTS0078917 |
| wikiData | Q105350986 |