Compound Detail
CHEMBL5182264
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CC(=O)[C@H]1N=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc(c23)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5182264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OURARJJEEKFXJG-TZIWHRDSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.90
ALogP
5
HBA
5
HBD
121.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspergillus niger CHEMBL358 | IC50 | 4.07 | 4.07 | 85200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspergillus niger | IC50 | = | 85200.0 | nM | 4.07 | Antifungal activity against Aspergillus niger assessed as fungal growth inhibiti... | 33153766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33153766 | 10.1016/j.ejmech.2020.112945 | Aspergillus niger | 1 |
Data from ChEMBL 36 via Core Engine