Compound Detail
CHEMBL549473
DIPYRITHIONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL549473 |
| Name | DIPYRITHIONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZHDBTKPXEJDTTQ-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
9
Known Names
Molecular Properties
252.3
MW (Da)
1.75
ALogP
4
HBA
0
HBD
53.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.88 | 6.0817 | 130.6 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 130.6 | nM | 6.88 | PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce... | - |
| Unchecked | IC50 | = | 719.0 | nM | 6.14 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... | - |
| Unchecked | IC50 | = | 842.5 | nM | 6.07 | PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 991.4 | nM | 6.0 | PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce... | - |
| Unchecked | IC50 | = | 1786.5 | nM | 5.75 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... | - |
| Unchecked | IC50 | = | 2231.7 | nM | 5.65 | PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19093848 | 10.1021/np800572r | Staphylococcus aureus | 3 |
| 19093848 | 10.1021/np800572r | Mycolicibacterium smegmatis | 2 |
| 19093848 | 10.1021/np800572r | Mycolicibacterium fortuitum | 1 |
| 19093848 | 10.1021/np800572r | Mycolicibacterium phlei | 1 |
Data from ChEMBL 36 via Core Engine