6-(8-Benzyl-2,5,12-trimethyl-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-11-yl)hex-4-enamide
| Internal ID | 67738fe2-ecff-4b81-b38b-ecf66b2f9426 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 6-(8-benzyl-2,5,12-trimethyl-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-11-yl)hex-4-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H35N5O5/c1-15-19(12-8-5-9-13-21(26)31)29-25(35)20(14-18-10-6-4-7-11-18)30-24(34)17(3)28-23(33)16(2)27-22(15)32/h4-8,10-11,15-17,19-20H,9,12-14H2,1-3H3,(H2,26,31)(H,27,32)(H,28,33)(H,29,35)(H,30,34) |
| InChI Key | CTSOUSRCWCZQCB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H35N5O5 |
| Molecular Weight | 485.60 g/mol |
| Exact Mass | 485.26381923 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | 0.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.28% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.08% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.89% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.64% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.62% | 97.25% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.43% | 97.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.66% | 82.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.32% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.17% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.06% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.51% | 95.50% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 81.31% | 98.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.69% | 94.45% |
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 | 162969961 |
| LOTUS | LTS0192604 |
| wikiData | Q104970028 |