(6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonylindol-3-yl)-methoxymethanesulfonic acid
| Internal ID | 0d611e65-e58f-4f7f-b4aa-1284bf6e7dc8 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives > Indolecarboxylic acids |
| IUPAC Name | (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonylindol-3-yl)-methoxymethanesulfonic acid |
| SMILES (Canonical) | COC(=O)N1C=C(C2=C1C=C(C=C2)Br)C(C3=CNC4=C3C=CC(=C4)Br)(OC)S(=O)(=O)O |
| SMILES (Isomeric) | COC(=O)N1C=C(C2=C1C=C(C=C2)Br)C(C3=CNC4=C3C=CC(=C4)Br)(OC)S(=O)(=O)O |
| InChI | InChI=1S/C20H16Br2N2O6S/c1-29-19(25)24-10-16(14-6-4-12(22)8-18(14)24)20(30-2,31(26,27)28)15-9-23-17-7-11(21)3-5-13(15)17/h3-10,23H,1-2H3,(H,26,27,28) |
| InChI Key | OODYBCNKASMAJO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16Br2N2O6S |
| Molecular Weight | 572.20 g/mol |
| Exact Mass | 571.90753 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.81% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.72% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.98% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.62% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.81% | 93.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.24% | 89.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.89% | 98.59% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.87% | 92.94% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 81.62% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.20% | 96.90% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.98% | 94.33% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.73% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.59% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.38% | 94.73% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 80.18% | 94.67% |
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 | 10603168 |
| LOTUS | LTS0232144 |
| wikiData | Q105195310 |