Compound Detail
CHEMBL1939096
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Basic Information
| ChEMBL ID | CHEMBL1939096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTMUYMFTDPYETO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
3.05
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3233 | hr | Homo sapiens |
| T1/2 | 0.3617 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | EC50 | = | 220.0 | nM | 6.66 | 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 |
| 21958545 | 10.1016/j.bmcl.2011.08.114 | Caco-2 | 2 |
| 21958545 | 10.1016/j.bmcl.2011.08.114 | Liver microsomes | 1 |
| 21958545 | 10.1016/j.bmcl.2011.08.114 | Liver | 1 |
Data from ChEMBL 36 via Core Engine