N,N-dimethyl-3-thia-5,8,18-triazahexacyclo[9.9.2.02,6.07,22.012,17.018,21]docosa-1(21),2(6),4,7,9,11(22),12,14,16,19-decaen-4-amine
| Internal ID | f00f1905-1097-4b72-a143-f9b5228fb8d6 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Pyridoacridines > Pyrido[2,3,4-kl]acridines |
| IUPAC Name | N,N-dimethyl-3-thia-5,8,18-triazahexacyclo[9.9.2.02,6.07,22.012,17.018,21]docosa-1(21),2(6),4,7,9,11(22),12,14,16,19-decaen-4-amine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H14N4S/c1-23(2)20-22-17-16-15-12(7-9-21-16)11-5-3-4-6-14(11)24-10-8-13(18(15)24)19(17)25-20/h3-10H,1-2H3 |
| InChI Key | QGKWGHMLKWFBJC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H14N4S |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.09391764 g/mol |
| Topological Polar Surface Area (TPSA) | 61.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of N,N-dimethyl-3-thia-5,8,18-triazahexacyclo[9.9.2.02,6.07,22.012,17.018,21]docosa-1(21),2(6),4,7,9,11(22),12,14,16,19-decaen-4-amine](https://plantaedb.com/storage/docs/compounds/2023/11/4d20cc40-8638-11ee-a752-2365dbb1d2fe.jpg "2D Structure of N,N-dimethyl-3-thia-5,8,18-triazahexacyclo[9.9.2.02,6.07,22.012,17.018,21]docosa-1(21),2(6),4,7,9,11(22),12,14,16,19-decaen-4-amine")
| 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 | 97.29% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.31% | 91.49% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.58% | 93.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 94.61% | 93.65% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.59% | 92.97% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.98% | 96.67% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 91.45% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.66% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.93% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.19% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.68% | 85.14% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.29% | 85.49% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.91% | 95.83% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 85.76% | 96.47% |
| CHEMBL2828 | P48730 | Casein kinase I delta | 85.46% | 93.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.11% | 98.75% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.87% | 95.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.40% | 89.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 83.06% | 88.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.67% | 96.39% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 82.49% | 91.73% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.10% | 97.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.01% | 100.00% |
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 | 101620175 |
| LOTUS | LTS0222053 |
| wikiData | Q105220400 |