Compound Detail
CHEMBL4060601
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Basic Information
| ChEMBL ID | CHEMBL4060601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDQYGKREDAFVCR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.8
MW (Da)
5.25
ALogP
4
HBA
0
HBD
35.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Inhibition of ATP synthase in Mycobacterium smegmatis inverted membrane vesicles... | 28075132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28075132 | 10.1021/acs.jmedchem.6b01358 | Unchecked | 6 |
| 28075132 | 10.1021/acs.jmedchem.6b01358 | Mycolicibacterium smegmatis | 3 |
| 28075132 | 10.1021/acs.jmedchem.6b01358 | Mycobacterium tuberculosis | 1 |
| 28075132 | 10.1021/acs.jmedchem.6b01358 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine