2-amino-5-(2-hydroxyanilino)-3,6-dioxocyclohexa-1,4-diene-1-carboxamide
| Internal ID | 0ff7eb1a-99ed-4756-b66c-ffb3f0d72128 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | 2-amino-5-(2-hydroxyanilino)-3,6-dioxocyclohexa-1,4-diene-1-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H11N3O4/c14-11-9(18)5-7(12(19)10(11)13(15)20)16-6-3-1-2-4-8(6)17/h1-5,16-17H,14H2,(H2,15,20) |
| InChI Key | PAYLFJFRBIHGBV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H11N3O4 |
| Molecular Weight | 273.24 g/mol |
| Exact Mass | 273.07495584 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 1.10 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta |
480 nM |
IC50 |
via Super-PRED
|
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 |
18 nM |
IC50 |
via Super-PRED
|
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 |
11 nM |
IC50 |
via Super-PRED
|
| CHEMBL1955 | P35916 | Vascular endothelial growth factor receptor 3 |
1.8 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.61% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.92% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.43% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.22% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.99% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.63% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.07% | 82.69% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.39% | 96.67% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 83.72% | 89.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.99% | 98.75% |
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 | 71665427 |
| LOTUS | LTS0219245 |
| wikiData | Q105204959 |