Takakiamide
| Internal ID | 9bc57e36-002b-4ba1-ad4c-88430bddd0ae |
| Taxonomy | Organoheterocyclic compounds > Benzodiazepines > 1,4-benzodiazepines |
| IUPAC Name | 3-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
| SMILES (Canonical) | CC(=CCN1C=C(C2=CC=CC=C21)CC3C(=O)NC4=CC=CC=C4C(=O)N3)C |
| SMILES (Isomeric) | CC(=CCN1C=C(C2=CC=CC=C21)CC3C(=O)NC4=CC=CC=C4C(=O)N3)C |
| InChI | InChI=1S/C23H23N3O2/c1-15(2)11-12-26-14-16(17-7-4-6-10-21(17)26)13-20-23(28)24-19-9-5-3-8-18(19)22(27)25-20/h3-11,14,20H,12-13H2,1-2H3,(H,24,28)(H,25,27) |
| InChI Key | RLNXCRSSBIJUAB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H23N3O2 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.17902698 g/mol |
| Topological Polar Surface Area (TPSA) | 63.10 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.12% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.47% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.29% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.77% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.72% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.40% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.11% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.07% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.58% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.25% | 98.59% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.27% | 92.97% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.86% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.53% | 88.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.22% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.96% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.84% | 92.62% |
| CHEMBL4237 | O75582 | Ribosomal protein S6 kinase alpha 5 | 81.44% | 91.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.20% | 95.83% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.78% | 96.39% |
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 | 74833823 |
| LOTUS | LTS0069485 |
| wikiData | Q77498403 |