Compound Detail
CHEMBL3817907
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Basic Information
| ChEMBL ID | CHEMBL3817907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCUJFMNAQIFYLL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
5.42
ALogP
7
HBA
1
HBD
67.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Mycolicibacterium smegmatis CHEMBL613088 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 450.0 | nM | 6.35 | Inhibition of ATP synthase in Mycobacterium smegmatis inverted membrane vesicles... | - |
| Mycolicibacterium smegmatis | IC50 | = | 500.0 | nM | 6.3 | Inhibition of ATP synthesis in Mycobacterium smegmatis derived membrane vesicle ... | 35612311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00589B | Mycobacterium tuberculosis | 20 |
| - | 10.1039/C5MD00589B | Unchecked | 3 |
| 35612311 | 10.1021/acs.jmedchem.2c00227 | Mycobacterium tuberculosis | 2 |
| - | 10.1039/C5MD00589B | Mus musculus | 1 |
| 35612311 | 10.1021/acs.jmedchem.2c00227 | Cell membrane | 1 |
| 35612311 | 10.1021/acs.jmedchem.2c00227 | Mycolicibacterium smegmatis | 1 |
Data from ChEMBL 36 via Core Engine