Compound Detail
CHEMBL4856755
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Basic Information
| ChEMBL ID | CHEMBL4856755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YONMYTMORGTPSC-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.62
ALogP
4
HBA
1
HBD
69.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.06 | 7.005 | 87.0 | 2 |
| Cyclin-dependent kinase 8 CHEMBL5719 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
| Cyclin-dependent kinase 8/19 CHEMBL3885556 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 3.7 | nM | 8.43 | Inhibition of kinase tracer 236 binding to His tagged recombinant human CDK8/cyc... | 35114084 |
| Unchecked | IC50 | = | 87.0 | nM | 7.06 | Inhibition of CDK8/CDK19 in MV4-11 cells and measured after 7 days by Spectra ma... | 35114084 |
| Cyclin-dependent kinase 8 | IC50 | = | 103.0 | nM | 6.99 | Inhibition of CDK8 in TNF-alpha-induced HEK293 cells by NF-kappaB reporter assay | - |
| Unchecked | IC50 | = | 112.0 | nM | 6.95 | Inhibition of NF kappa B dependent CDK8/CDK19 in HEK293 cell incubated for 3 hrs... | 35114084 |
| Cyclin-dependent kinase 8/19 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of CDK8/CDK19 in HEK293 cells by NF-kappaB reporter assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35114084 | 10.1021/acs.jmedchem.1c01951 | Unchecked | 2 |
| 35114084 | 10.1021/acs.jmedchem.1c01951 | CDK8/Cyclin C | 1 |
Data from ChEMBL 36 via Core Engine