Compound Detail
CHEMBL3951719
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Basic Information
| ChEMBL ID | CHEMBL3951719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFWPUXGGJLUEKD-NTCAYCPXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.91
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex CHEMBL3988584 | IC50 | 5.95 | 5.95 | 1130.0 | 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 | = | 1130.0 | nM | 5.95 | Inhibition Assay: Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The a... | - |
Data from ChEMBL 36 via Core Engine