Compound Detail
CHEMBL3924071
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Basic Information
| ChEMBL ID | CHEMBL3924071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFJLOMZKRKMZEK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.3
MW (Da)
4.86
ALogP
6
HBA
1
HBD
96.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex CHEMBL3988584 | IC50 | 6.02 | 6.02 | 954.0 | 1 |
| Dihydrolipoyl dehydrogenase CHEMBL3988585 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex | IC50 | = | 954.0 | nM | 6.02 | Inhibition Assay: Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The a... | - |
| Dihydrolipoyl dehydrogenase | IC50 | = | 1080.0 | nM | 5.97 | Inhibition Assay: The assay was performed in a manner similar to that described ... | - |
Data from ChEMBL 36 via Core Engine