Compound Detail
CHEMBL1473700
PIROCTONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1473700 |
| Name | PIROCTONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OIQJEQLSYJSNDS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
3
Known Names
Molecular Properties
237.3
MW (Da)
3.01
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 2 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.88 | 6.555 | 133.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 133.17 | nM | 6.88 | PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 591.3 | nM | 6.23 | PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
Data from ChEMBL 36 via Core Engine