Compound Detail
CHEMBL464061
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Basic Information
| ChEMBL ID | CHEMBL464061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQGLKSMKJDDPFV-CABCVRRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
1.67
ALogP
5
HBA
2
HBD
102.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.16 | 7.16 | 69.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 69.5 | nM | 7.16 | Inhibition of Mycobacterium tuberculosis H37Rv PDF expressed in Escherichia coli... | 35307568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19008098 | 10.1016/j.bmcl.2008.10.040 | Mycobacterium tuberculosis | 6 |
| 35307568 | 10.1016/j.bmcl.2022.128692 | Mycobacterium tuberculosis variant bovis | 1 |
| 35307568 | 10.1016/j.bmcl.2022.128692 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine