Compound Detail
CHEMBL1089334
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Basic Information
| ChEMBL ID | CHEMBL1089334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMHIOMMKSMSRLY-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
1.13
ALogP
7
HBA
1
HBD
119.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | EC50 | 7.52 | 7.445 | 30.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | EC50 | = | 30.0 | nM | 7.52 | Activation of PKM2 (unknown origin) | 38408027 |
| Pyruvate kinase PKM | EC50 | = | 38.0 | nM | 7.42 | Activation of human PKM2 assessed as ATP product formation after 1 hr by lumines... | 21958545 |
| Pyruvate kinase PKM | EC50 | = | 38.0 | nM | 7.42 | Activation of human recombinant full length His-tagged PKM2 (Asp354, Lys311, Glu... | 34726055 |
| Pyruvate kinase PKM | EC50 | = | 38.0 | nM | 7.42 | Activation of PKM2 (unknown origin) Asp354, Phe26, Lys311 residues | 34726055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35007726 | 10.1016/j.bmcl.2022.128539 | Pyruvate kinase PKM | 5 |
| 20017496 | 10.1021/jm901577g | Pyruvate kinase PKM | 4 |
| 20017496 | 10.1021/jm901577g | Pyruvate kinase PKLR | 4 |
| 34726055 | 10.1021/acs.jmedchem.1c00981 | Pyruvate kinase PKM | 3 |
| 20017496 | 10.1021/jm901577g | Molecular identity unknown | 1 |
| 20017496 | 10.1021/jm901577g | No relevant target | 1 |
| 21958545 | 10.1016/j.bmcl.2011.08.114 | Pyruvate kinase PKM | 1 |
| 34355179 | 10.1039/D1MD00045D | Pyruvate kinase PKM | 1 |
| 38408027 | 10.1021/acs.jmedchem.3c01512 | Pyruvate kinase PKM | 1 |
Data from ChEMBL 36 via Core Engine