Compound Detail
CHEMBL577395
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CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc1-3
Basic Information
| ChEMBL ID | CHEMBL577395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZYATJZFRQBDLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
7.53
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 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Malate dehydrogenase, mitochondrial CHEMBL5917 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Malate dehydrogenase, mitochondrial | IC50 | = | 770.0 | nM | 6.11 | 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 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | COLO 205 | 1 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | HCT-116 | 1 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | IGROV-1 | 1 |
| 19906467 | 10.1016/j.ejmech.2009.10.018 | OVCAR-3 | 1 |
Data from ChEMBL 36 via Core Engine