1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-, dimethyl ester
| Internal ID | 7e872371-f732-4559-bbe0-a7820d3fc2ab |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate |
| SMILES (Canonical) | COC(=O)C1=C(C(=C(N1)C(=O)OC)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54 |
| SMILES (Isomeric) | COC(=O)C1=C(C(=C(N1)C(=O)OC)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54 |
| InChI | InChI=1S/C24H19N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,25-27H,1-2H3 |
| InChI Key | DKTWEIRHZXHFQB-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C24H19N3O4 |
| Molecular Weight | 413.40 g/mol |
| Exact Mass | 413.13755610 g/mol |
| Topological Polar Surface Area (TPSA) | 100.00 Ų |
| XlogP | 4.60 |
| 150044-77-2 |
| 1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-, dimethyl ester |
| CHEMBL371472 |
| SCHEMBL12658123 |
| DTXSID80452826 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.24% | 96.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 93.80% | 92.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.24% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.37% | 98.75% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 86.54% | 81.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.51% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.54% | 90.00% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 84.22% | 93.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.66% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.14% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.78% | 85.14% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 82.66% | 98.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.90% | 94.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.77% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 81.57% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.86% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.70% | 98.59% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.68% | 91.49% |
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 | 11037060 |
| LOTUS | LTS0222967 |
| wikiData | Q77571330 |