Compound Detail
CHEMBL5570128
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Basic Information
| ChEMBL ID | CHEMBL5570128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYJBAIBYGZGWLS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.50
ALogP
8
HBA
1
HBD
98.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKM CHEMBL1075189 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| A549 CHEMBL392 | IC50 | 4.63 | 4.63 | 23480.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 4.5 | 4.5 | 31780.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.48 | 4.48 | 33400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | IC50 | = | 8.8 | nM | 8.06 | Inhibition of recombinant human PKM2 expressed in Escherichia coli preincubated ... | 38408027 |
| A549 | IC50 | = | 23480.0 | nM | 4.63 | Cytotoxicity against human A549 cells expressing PKM2 assessed as inhibition of ... | 38408027 |
| COLO 205 | IC50 | = | 31780.0 | nM | 4.5 | Cytotoxicity against human COLO 205 cells expressing PKM2 assessed as inhibition... | 38408027 |
| MCF7 | IC50 | = | 33400.0 | nM | 4.48 | Cytotoxicity against human MCF7 cells expressing PKM2 assessed as inhibition of ... | 38408027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38408027 | 10.1021/acs.jmedchem.3c01512 | Pyruvate kinase PKM | 1 |
| 38408027 | 10.1021/acs.jmedchem.3c01512 | COLO 205 | 1 |
| 38408027 | 10.1021/acs.jmedchem.3c01512 | A549 | 1 |
| 38408027 | 10.1021/acs.jmedchem.3c01512 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine