Compound Detail
CHEMBL1939103
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Basic Information
| ChEMBL ID | CHEMBL1939103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAJXECZPLGLEKB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.17
ALogP
5
HBA
4
HBD
107.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | EC50 | = | 2100.0 | nM | 5.68 | Activation of human PKM2 assessed as ATP product formation after 1 hr by lumines... | 21958545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21958545 | 10.1016/j.bmcl.2011.08.114 | Pyruvate kinase PKM | 2 |
Data from ChEMBL 36 via Core Engine