Compound Detail
CHEMBL5425301
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Basic Information
| ChEMBL ID | CHEMBL5425301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCZQMDXOWUPTJT-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
483.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.77
EC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial CHEMBL4766 | EC50 | 6.19 | 6.19 | 650.0 | 1 |
| NB-4 CHEMBL614188 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.33 | 5.33 | 4720.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.27 | 5.27 | 5320.0 | 1 |
| COS-7 CHEMBL614564 | IC50 | 5.25 | 5.25 | 5580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | EC50 | = | 650.0 | nM | 6.19 | Inhibition of PDK1 (unknown origin) incubated for 30 mins in presence of ATP by ... | 37688544 |
| NB-4 | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human NB4 cells assessed as inhibition of cel... | 37688544 |
| MOLM-13 | IC50 | = | 1770.0 | nM | 5.75 | Antiproliferative activity against human MOLM-13 cells assessed as inhibition of... | 37688544 |
| 4T1 | IC50 | = | 3700.0 | nM | 5.43 | Antiproliferative activity against mouse 4T1 cells assessed as inhibition of cel... | 37688544 |
| HeLa | IC50 | = | 4720.0 | nM | 5.33 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 37688544 |
| MCF7 | IC50 | = | 5320.0 | nM | 5.27 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 37688544 |
| COS-7 | IC50 | = | 5580.0 | nM | 5.25 | Antiproliferative activity against African green monkey COS7 cells assessed as i... | 37688544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37688544 | 10.1021/acs.jmedchem.3c01197 | MOLM-13 | 1 |
| 37688544 | 10.1021/acs.jmedchem.3c01197 | NB-4 | 1 |
| 37688544 | 10.1021/acs.jmedchem.3c01197 | 4T1 | 1 |
| 37688544 | 10.1021/acs.jmedchem.3c01197 | MCF7 | 1 |
| 37688544 | 10.1021/acs.jmedchem.3c01197 | HeLa | 1 |
| 37688544 | 10.1021/acs.jmedchem.3c01197 | COS-7 | 1 |
| 37688544 | 10.1021/acs.jmedchem.3c01197 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine