Compound Detail
CHEMBL492106
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Basic Information
| ChEMBL ID | CHEMBL492106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNHQTYFNOYNEHU-SHACYNPGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.9
MW (Da)
4.42
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichophyton mentagrophytes CHEMBL613162 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichophyton mentagrophytes | IC50 | = | 280.0 | nM | 6.55 | Antifungal activity against Trichophyton mentagrophytes IBT 2724 after 7 days by... | 22191585 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of centrosomal clustering in human SCC114 cells expressing GFPalpha-t... | 19402668 |
| MDA-MB-231 | IC50 | = | 17000.0 | nM | 4.77 | Cytotoxicity against human MDA-MB-231 cells assessed as cell viability after 48 ... | 22191585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19402668 | 10.1021/jm801517j | Unchecked | 1 |
| 22191585 | 10.1021/jm200835c | Trichophyton mentagrophytes | 1 |
| 22191585 | 10.1021/jm200835c | MDA-MB-231 | 1 |
| 22191585 | 10.1021/jm200835c | Trichophyton rubrum | 1 |
Data from ChEMBL 36 via Core Engine