6-Chloro-3-methyl-7-(methylamino)isoquinoline-5,8-dione
| Internal ID | 2e3e4c6f-94b2-41a1-bd01-39d736935cd0 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinoline quinones |
| IUPAC Name | 6-chloro-3-methyl-7-(methylamino)isoquinoline-5,8-dione |
| SMILES (Canonical) | CC1=CC2=C(C=N1)C(=O)C(=C(C2=O)Cl)NC |
| SMILES (Isomeric) | CC1=CC2=C(C=N1)C(=O)C(=C(C2=O)Cl)NC |
| InChI | InChI=1S/C11H9ClN2O2/c1-5-3-6-7(4-14-5)11(16)9(13-2)8(12)10(6)15/h3-4,13H,1-2H3 |
| InChI Key | FPHREBMISNGXBB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.65 g/mol |
| Exact Mass | 236.0352552 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 1.80 |
| 6-chloro-3-methyl-7-(methylamino)isoquinoline-5,8-dione |
| RefChem:155714 |
| 1199808-45-1 |
| CHEBI:211022 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.96% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.50% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.42% | 95.56% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 88.64% | 96.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.81% | 91.49% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.51% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.46% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.33% | 94.42% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.26% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.88% | 98.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.63% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.57% | 94.00% |
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.
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| There are no matching plants. |
| PubChem | 44614385 |
| LOTUS | LTS0115428 |
| wikiData | Q77492797 |