4-[4-Chlor-2-(3,4-dichlor-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-phenol
| Internal ID | 3a148334-8c1f-4e78-9007-b94a21b0d363 |
| Taxonomy | Organoheterocyclic compounds > Azoles > Oxazoles > Phenyl-1,3-oxazoles |
| IUPAC Name | 4-[4-chloro-2-(3,4-dichloro-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]phenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H7Cl3N2O2/c14-8-5-17-10(9(8)15)13-18-12(16)11(20-13)6-1-3-7(19)4-2-6/h1-5,17,19H |
| InChI Key | QSFUDEGJGAYZNO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H7Cl3N2O2 |
| Molecular Weight | 329.60 g/mol |
| Exact Mass | 327.957311 g/mol |
| Topological Polar Surface Area (TPSA) | 62.10 Ų |
| XlogP | 4.30 |
| 4-[4-Chlor-2-(3,4-dichlor-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-phenol |
| 4-[4-Chloro-2-(3,4-dichloro-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]phenol # |
![2D Structure of 4-[4-Chlor-2-(3,4-dichlor-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-chlor-2-34-dichlor-1h-pyrrol-2-yl-13-oxazol-5-yl-phenol.jpg "2D Structure of 4-[4-Chlor-2-(3,4-dichlor-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 96.89% | 93.24% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 94.79% | 92.29% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 94.30% | 88.84% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.72% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.10% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.88% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.07% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.00% | 94.45% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.88% | 95.64% |
| CHEMBL1944 | P08473 | Neprilysin | 89.40% | 92.63% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.52% | 98.35% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.29% | 81.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.99% | 100.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.12% | 91.38% |
| CHEMBL2216739 | Q92523 | Carnitine O-palmitoyltransferase 1, muscle isoform | 85.55% | 88.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.32% | 95.78% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.04% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.90% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.17% | 86.33% |
| CHEMBL5543 | Q9Y463 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 82.96% | 94.70% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.72% | 93.10% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.69% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.36% | 85.00% |
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 | 578031 |
| LOTUS | LTS0057033 |
| wikiData | Q105226965 |