Compound Detail
CHEMBL5184085
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O=C(c1c[nH]c2ccc(O)cc12)[C@H](O)[C@@H](O)C(=O)c1c[nH]c2ccc(O)cc12
Basic Information
| ChEMBL ID | CHEMBL5184085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BALFJKUPPXTFHW-PMACEKPBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
1.85
ALogP
6
HBA
6
HBD
146.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspergillus niger CHEMBL358 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Trichophyton mentagrophytes CHEMBL613162 | IC50 | 4.38 | 4.38 | 42100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspergillus niger | IC50 | = | 21000.0 | nM | 4.68 | Antifungal activity against Aspergillus niger assessed as fungal growth inhibiti... | 33153766 |
| Trichophyton mentagrophytes | IC50 | = | 42100.0 | nM | 4.38 | Antifungal activity against Trichophyton mentagrophytes assessed as fungal growt... | 33153766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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