Compound Detail
CHEMBL1090777
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Basic Information
| ChEMBL ID | CHEMBL1090777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHWNKRPMUBFWKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
1.43
ALogP
6
HBA
0
HBD
93.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | EC50 | 6.62 | 6.62 | 241.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | EC50 | = | 241.0 | nM | 6.62 | Activation of PKM2 (unknown origin) by LDH enzyme coupled assay | 39149105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20017496 | 10.1021/jm901577g | Pyruvate kinase PKM | 4 |
| 20017496 | 10.1021/jm901577g | Pyruvate kinase PKLR | 4 |
| 28511909 | 10.1016/j.bmc.2017.05.004 | Pyruvate kinase PKM | 2 |
| 20017496 | 10.1021/jm901577g | Molecular identity unknown | 1 |
| 20017496 | 10.1021/jm901577g | No relevant target | 1 |
| 39149105 | 10.1039/d4md00042k | Pyruvate kinase PKM | 1 |
Data from ChEMBL 36 via Core Engine