(5-chloro-4-methyl-3-nitro-1H-pyrrol-2-yl)-(3,5-dichloro-2-hydroxyphenyl)methanone
| Internal ID | 0b134805-170e-4e2f-ad05-1e438275c2d7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Aryl-phenylketones |
| IUPAC Name | (5-chloro-4-methyl-3-nitro-1H-pyrrol-2-yl)-(3,5-dichloro-2-hydroxyphenyl)methanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H7Cl3N2O4/c1-4-9(17(20)21)8(16-12(4)15)11(19)6-2-5(13)3-7(14)10(6)18/h2-3,16,18H,1H3 |
| InChI Key | ZWKHFNKKZRTSHH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H7Cl3N2O4 |
| Molecular Weight | 349.50 g/mol |
| Exact Mass | 347.947140 g/mol |
| Topological Polar Surface Area (TPSA) | 98.90 Ų |
| XlogP | 5.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 94.52% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.90% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.76% | 97.21% |
| CHEMBL2104 | Q99571 | P2X purinoceptor 4 | 89.02% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.86% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.58% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.55% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.39% | 95.56% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 87.59% | 92.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.42% | 92.29% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.38% | 96.21% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 86.20% | 95.52% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.92% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.91% | 94.45% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 83.89% | 93.81% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 83.88% | 97.88% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.76% | 96.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.76% | 95.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.52% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.75% | 90.24% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.30% | 95.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139588821 |
| LOTUS | LTS0164040 |
| wikiData | Q105384990 |