Compound Detail
CHEMBL577566
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 | CHEMBL577566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCSSFYSEUHFCQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.2
MW (Da)
6.99
ALogP
1
HBA
1
HBD
36.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malate dehydrogenase, mitochondrial CHEMBL5917 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malate dehydrogenase, mitochondrial | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of mitochondrial malate dehydrogenase by spectrophotometry | 19906467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19906467 | 10.1016/j.ejmech.2009.10.018 | Malate dehydrogenase, mitochondrial | 1 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine