Compound Detail
CHEMBL1097845
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1097845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKYQFMPKSWEJRJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
324.5
MW (Da)
4.40
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.31 | 4.99 | 4900.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of mitochondrial complex 1 in human MCF7 cells assessed as concentrat... | 20456960 |
| Unchecked | IC50 | = | 13590.0 | nM | 4.87 | Inhibition of NADH oxidase from beef heart submitochondrial particles by spectro... | 20456960 |
| Unchecked | IC50 | = | 16410.0 | nM | 4.79 | Inhibition of NADH-ubiquinone oxidoreductase from beef heart submitochondrial pa... | 20456960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20456960 | 10.1016/j.bmc.2010.03.070 | Unchecked | 3 |
| 20456960 | 10.1016/j.bmc.2010.03.070 | NON-PROTEIN TARGET | 3 |
| 20456960 | 10.1016/j.bmc.2010.03.070 | MCF7 | 1 |
| 20456960 | 10.1016/j.bmc.2010.03.070 | MCF-10A | 1 |
| 20456960 | 10.1016/j.bmc.2010.03.070 | A549 | 1 |
Data from ChEMBL 36 via Core Engine