Compound Detail
CHEMBL4065075
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Basic Information
| ChEMBL ID | CHEMBL4065075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNIUNQHOXMBZCU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
5.50
ALogP
4
HBA
0
HBD
38.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 6.31 | 6.29 | 490.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 490.0 | nM | 6.31 | Antitubercular activity against Mycobacterium tuberculosis H37Ra ATCC 25177 dorm... | 28411559 |
| Mycobacterium tuberculosis | IC50 | = | 540.0 | nM | 6.27 | Antitubercular activity against Mycobacterium bovis BCG ATCC 35743 dormant stage... | 28411559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28411559 | 10.1016/j.ejmech.2017.03.065 | Mycobacterium tuberculosis | 10 |
| 28411559 | 10.1016/j.ejmech.2017.03.065 | Unchecked | 6 |
| 28411559 | 10.1016/j.ejmech.2017.03.065 | Escherichia coli | 4 |
| 28411559 | 10.1016/j.ejmech.2017.03.065 | Pseudomonas fluorescens | 4 |
| 28411559 | 10.1016/j.ejmech.2017.03.065 | Staphylococcus aureus | 4 |
| 28411559 | 10.1016/j.ejmech.2017.03.065 | Bacillus subtilis | 4 |
| 28411559 | 10.1016/j.ejmech.2017.03.065 | HeLa | 2 |
| 28411559 | 10.1016/j.ejmech.2017.03.065 | A549 | 2 |
| 28411559 | 10.1016/j.ejmech.2017.03.065 | PANC-1 | 2 |
Data from ChEMBL 36 via Core Engine