Compound Detail
CHEMBL1236255
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Basic Information
| ChEMBL ID | CHEMBL1236255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFXJYVQAAFOZDP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.9
MW (Da)
3.66
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.7
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial CHEMBL3861 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2000.0 | nM | 5.7 | Inhibition of PDK (unknown origin) | 37688544 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of recombinant human His6-tagged N-terminal PDHK2 (A8 to T399 residue... | 30597326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30597326 | 10.1016/j.ejmech.2018.12.051 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 1 |
| 37688544 | 10.1021/acs.jmedchem.3c01197 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine