Compound Detail
CHEMBL4104123
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Basic Information
| ChEMBL ID | CHEMBL4104123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOVVDOSNWDPVII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.04
ALogP
6
HBA
1
HBD
60.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | 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 | 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