Compound Detail
CHEMBL5412119
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Basic Information
| ChEMBL ID | CHEMBL5412119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOXHIMPHQIDOBD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
372.6
MW (Da)
6.43
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycolicibacterium smegmatis CHEMBL613088 | IC50 | 4.85 | 4.65 | 14000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycolicibacterium smegmatis | IC50 | = | 14000.0 | nM | 4.85 | Antimycobacterial activity against Mycobacterium smegmatis assessed as inhibitio... | 37235809 |
| Mycolicibacterium smegmatis | IC50 | = | 14000.0 | nM | 4.85 | Antimycobacterial activity against Mycobacterium smegmatis assessed as inhibitio... | 37235809 |
| Mycolicibacterium smegmatis | IC50 | = | 56000.0 | nM | 4.25 | Antimycobacterial activity against Mycobacterium smegmatis assessed as inhibitio... | 37235809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Mycolicibacterium smegmatis | 3 |
| 37467619 | 10.1016/j.ejmech.2023.115627 | Staphylococcus aureus | 1 |
| 37467619 | 10.1016/j.ejmech.2023.115627 | Bacillus subtilis | 1 |
| 37467619 | 10.1016/j.ejmech.2023.115627 | Staphylococcus simulans | 1 |
| 37467619 | 10.1016/j.ejmech.2023.115627 | Enterococcus faecium | 1 |
| 37467619 | 10.1016/j.ejmech.2023.115627 | Moraxella catarrhalis | 1 |
Data from ChEMBL 36 via Core Engine