Compound Detail
CHEMBL1096987
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Basic Information
| ChEMBL ID | CHEMBL1096987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLHADEKOUZFLFG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
4.70
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.28 | 6.84 | 52.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 52.6 | nM | 7.28 | Inhibition of NADH oxidase from beef heart submitochondrial particles by spectro... | 20456960 |
| Unchecked | IC50 | = | 151.1 | nM | 6.82 | Inhibition of NADH-ubiquinone oxidoreductase from beef heart submitochondrial pa... | 20456960 |
| Unchecked | IC50 | = | 380.0 | nM | 6.42 | Inhibition of mitochondrial complex 1 in human MCF7 cells assessed as concentrat... | 20456960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20456960 | 10.1016/j.bmc.2010.03.070 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine