Compound Detail
CHEMBL5415415
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Basic Information
| ChEMBL ID | CHEMBL5415415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJHWQQGLSIBWMT-OMCISZLKSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.6
MW (Da)
3.94
ALogP
3
HBA
2
HBD
41.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Cell membrane CHEMBL2364031 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Mycolicibacterium smegmatis CHEMBL613088 | IC50 | 4.58 | 4.39 | 26000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 14000.0 | nM | 4.85 | Antimycobacterial activity against Mycobacterium tuberculosis HN878 assessed as ... | 37235809 |
| Cell membrane | IC50 | = | 15000.0 | nM | 4.82 | Uncoupling activity in Escherichia coli inverted membrane vesicles assessed as c... | 37235809 |
| Mycolicibacterium smegmatis | IC50 | = | 26000.0 | nM | 4.58 | Antimycobacterial activity against Mycobacterium smegmatis assessed as inhibitio... | 37235809 |
| Mycolicibacterium smegmatis | IC50 | = | 63000.0 | nM | 4.2 | 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 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Mycobacterium tuberculosis | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Cell membrane | 1 |
Data from ChEMBL 36 via Core Engine