6-amino-5-chloro-3-[(1S)-1,2-dihydroxyethyl]-1H-indole-4,7-dione
| Internal ID | 01179598-cf88-4c47-a87a-3545a20f76d9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | 6-amino-5-chloro-3-[(1S)-1,2-dihydroxyethyl]-1H-indole-4,7-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H9ClN2O4/c11-6-7(12)10(17)8-5(9(6)16)3(1-13-8)4(15)2-14/h1,4,13-15H,2,12H2/t4-/m1/s1 |
| InChI Key | HGURXOJCPLDAEO-SCSAIBSYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C10H9ClN2O4 |
| Molecular Weight | 256.64 g/mol |
| Exact Mass | 256.0250845 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 6-amino-5-chloro-3-[(1S)-1,2-dihydroxyethyl]-1H-indole-4,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6-amino-5-chloro-3-1s-12-dihydroxyethyl-1h-indole-47-dione.jpg "2D Structure of 6-amino-5-chloro-3-[(1S)-1,2-dihydroxyethyl]-1H-indole-4,7-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.91% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.99% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.97% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.49% | 98.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.73% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.49% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.27% | 89.34% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.60% | 93.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.16% | 92.88% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.66% | 96.67% |
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 | 162947430 |
| LOTUS | LTS0221867 |
| wikiData | Q105027975 |