Compound Detail
CHEMBL5192861
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CC(C)CC(=O)Nc1c(O)c(C(C[N+](C)(C)C)c2c[nH]c3cc(Br)ccc23)c2ccnc3c2c1NC=C3
Basic Information
| ChEMBL ID | CHEMBL5192861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHEDHSSHHYTUKL-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.5
MW (Da)
6.40
ALogP
4
HBA
4
HBD
90.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Candida albicans CHEMBL366 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Candida albicans | IC50 | = | 14200.0 | nM | 4.85 | Antifungal activity against Candida albicans assessed as fungal growth inhibitio... | 33153766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33153766 | 10.1016/j.ejmech.2020.112945 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine