N-[2-methyl-12-(3-methylbut-2-enoylamino)-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3(7),4,12-tetraen-5-yl]benzamide
| Internal ID | f274ab59-adf9-40d2-b46e-ceb9ac5f2a56 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides |
| IUPAC Name | N-[2-methyl-12-(3-methylbut-2-enoylamino)-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3(7),4,12-tetraen-5-yl]benzamide |
| SMILES (Canonical) | CC1C2=C(CCC3=C1N=C(N3)NC(=O)C4=CC=CC=C4)NC(=N2)NC(=O)C=C(C)C |
| SMILES (Isomeric) | CC1C2=C(CCC3=C1N=C(N3)NC(=O)C4=CC=CC=C4)NC(=N2)NC(=O)C=C(C)C |
| InChI | InChI=1S/C22H24N6O2/c1-12(2)11-17(29)25-21-23-15-9-10-16-19(13(3)18(15)26-21)27-22(24-16)28-20(30)14-7-5-4-6-8-14/h4-8,11,13H,9-10H2,1-3H3,(H2,23,25,26,29)(H2,24,27,28,30) |
| InChI Key | FGULWWOROLZDAM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N6O2 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.19607403 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.00 |
| BDBM50595107 |
![2D Structure of N-[2-methyl-12-(3-methylbut-2-enoylamino)-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3(7),4,12-tetraen-5-yl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/6567e820-8595-11ee-acc5-7d5ee02bcfea.jpg "2D Structure of N-[2-methyl-12-(3-methylbut-2-enoylamino)-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3(7),4,12-tetraen-5-yl]benzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 94.79% | 81.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.37% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.27% | 95.56% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 90.32% | 87.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.53% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.63% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.38% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.71% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 83.17% | 97.50% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 83.04% | 85.83% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.08% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.74% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 15815825 |
| LOTUS | LTS0191569 |
| wikiData | Q104995067 |