Compound Detail
CHEMBL5274026
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Basic Information
| ChEMBL ID | CHEMBL5274026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GASMZUDGPKMAEI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.01
ALogP
5
HBA
2
HBD
109.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | EC50 | 8.15 | 7.725 | 7.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | EC50 | = | 7.126 | nM | 8.15 | Activation of PKM2 (unknown origin) in presence of sorafenib | 34355179 |
| Pyruvate kinase PKM | EC50 | = | 50.0 | nM | 7.3 | Activation of PKM2 (unknown origin) | 38408027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34355179 | 10.1039/D1MD00045D | Pyruvate kinase PKM | 4 |
| 38408027 | 10.1021/acs.jmedchem.3c01512 | Pyruvate kinase PKM | 1 |
Data from ChEMBL 36 via Core Engine