Compound Detail
CHEMBL5170346
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Basic Information
| ChEMBL ID | CHEMBL5170346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNYZBUDRELYBLG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
4.75
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Candida albicans CHEMBL366 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Aspergillus niger CHEMBL358 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
| Trichophyton mentagrophytes CHEMBL613162 | IC50 | 4.29 | 4.29 | 51100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida albicans | IC50 | = | 3200.0 | nM | 5.5 | Antifungal activity against Candida albicans assessed as fungal growth inhibitio... | 33153766 |
| Cryptococcus neoformans | IC50 | = | 6400.0 | nM | 5.19 | Antifungal activity against Cryptococcus neoformans assessed as fungal growth in... | 33153766 |
| Aspergillus niger | IC50 | = | 12800.0 | nM | 4.89 | Antifungal activity against Aspergillus niger assessed as fungal growth inhibiti... | 33153766 |
| Trichophyton mentagrophytes | IC50 | = | 51100.0 | nM | 4.29 | Antifungal activity against Trichophyton mentagrophytes assessed as fungal growt... | 33153766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33153766 | 10.1016/j.ejmech.2020.112945 | Candida albicans | 1 |
| 33153766 | 10.1016/j.ejmech.2020.112945 | Cryptococcus neoformans | 1 |
| 33153766 | 10.1016/j.ejmech.2020.112945 | Trichophyton mentagrophytes | 1 |
| 33153766 | 10.1016/j.ejmech.2020.112945 | Aspergillus niger | 1 |
Data from ChEMBL 36 via Core Engine