Compound Detail
CHEMBL5556210
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Basic Information
| ChEMBL ID | CHEMBL5556210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYGBNBFTIGFOMT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
0.96
ALogP
8
HBA
5
HBD
144.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKLR CHEMBL1075126 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKLR | IC50 | = | 70.0 | nM | 7.16 | Inhibition of full length N-terminal His-tagged human PKL (2 to 543 residues) ex... | 38471358 |
| Interferon-induced, double-stranded RNA-activated protein kinase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of PKR (unknown origin) | 38471358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38471358 | 10.1016/j.ejmech.2024.116306 | Pyruvate kinase PKLR | 2 |
| 38471358 | 10.1016/j.ejmech.2024.116306 | Interferon-induced, double-stranded RNA-activated protein kinase | 1 |
Data from ChEMBL 36 via Core Engine