4-[2-(3,4-dichloro-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]phenol
| Internal ID | eb50f198-1418-4308-b3a3-974421e180ae |
| Taxonomy | Organoheterocyclic compounds > Azoles > Oxazoles > Phenyl-1,3-oxazoles |
| IUPAC Name | 4-[2-(3,4-dichloro-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]phenol |
| SMILES (Canonical) | C1=CC(=CC=C1C2=CN=C(O2)C3=C(C(=CN3)Cl)Cl)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=CN=C(O2)C3=C(C(=CN3)Cl)Cl)O |
| InChI | InChI=1S/C13H8Cl2N2O2/c14-9-5-16-12(11(9)15)13-17-6-10(19-13)7-1-3-8(18)4-2-7/h1-6,16,18H |
| InChI Key | GMPLXAVQPUZFFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H8Cl2N2O2 |
| Molecular Weight | 295.12 g/mol |
| Exact Mass | 293.9962829 g/mol |
| Topological Polar Surface Area (TPSA) | 62.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 4-[2-(3,4-dichloro-1H-pyrrol-2-yl)-1,3-oxazol-5-yl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-34-dichloro-1h-pyrrol-2-yl-13-oxazol-5-ylphenol.jpg "2D Structure of 4-[2-(3,4-dichloro-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 |
|---|---|---|---|---|
| CHEMBL3553 | P29597 | Tyrosine-protein kinase TYK2 | 95.81% | 97.09% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 95.09% | 88.84% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 95.08% | 92.29% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.63% | 94.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.33% | 98.35% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 94.24% | 93.24% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 94.15% | 91.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.53% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.32% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.52% | 93.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.50% | 91.11% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.02% | 81.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.39% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.62% | 95.78% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 87.37% | 91.23% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.12% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.35% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.03% | 94.75% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.65% | 96.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.49% | 89.67% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.11% | 88.56% |
| CHEMBL1944 | P08473 | Neprilysin | 82.76% | 92.63% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.64% | 95.64% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 81.54% | 91.79% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 81.24% | 91.73% |
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.
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| There are no matching plants. |
| PubChem | 9994628 |
| LOTUS | LTS0200067 |
| wikiData | Q105012056 |