Compound Detail
CHEMBL5186502
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CSc1c(-c2c(-c3c[nH]c4ccc(O)cc34)c(=O)n3c4ccc(O)cc4c4cc(C(=O)O)nc2c43)[n+](C)cn1C
Basic Information
| ChEMBL ID | CHEMBL5186502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLODZIKZHIHUPH-UHFFFAOYSA-O |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
4.25
ALogP
8
HBA
4
HBD
136.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cryptococcus neoformans CHEMBL365 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida albicans | IC50 | = | 14500.0 | nM | 4.84 | Antifungal activity against Candida albicans assessed as fungal growth inhibitio... | 33153766 |
| Cryptococcus neoformans | IC50 | = | 14500.0 | nM | 4.84 | Antifungal activity against Cryptococcus neoformans assessed as fungal growth in... | 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 |
Data from ChEMBL 36 via Core Engine