Compound Detail
CHEMBL1085587
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1085587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MORBXZMIXGYQDB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
2.74
ALogP
7
HBA
0
HBD
72.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | EC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | EC50 | = | 73.0 | nM | 7.14 | Activation of human PKM2 assessed as ATP product formation after 1 hr by lumines... | 21958545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20451379 | 10.1016/j.bmcl.2010.04.015 | Pyruvate kinase PKLR | 4 |
| 20451379 | 10.1016/j.bmcl.2010.04.015 | Pyruvate kinase PKM | 4 |
| 20451379 | 10.1016/j.bmcl.2010.04.015 | No relevant target | 1 |
| 21958545 | 10.1016/j.bmcl.2011.08.114 | Pyruvate kinase PKM | 1 |
| 34355179 | 10.1039/D1MD00045D | Pyruvate kinase PKM | 1 |
Data from ChEMBL 36 via Core Engine