Compound Detail
CHEMBL5094174
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Basic Information
| ChEMBL ID | CHEMBL5094174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUGVQNZMIPEMTK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
4.02
ALogP
6
HBA
2
HBD
98.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.29 | 305.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 6.5 | nM | 8.19 | Inhibition of kinase tracer 236 binding to His tagged recombinant human CDK8/cyc... | 35114084 |
| Unchecked | IC50 | = | 305.0 | nM | 6.52 | Inhibition of CDK8/CDK19 in MV4-11 cells and measured after 7 days by Spectra ma... | 35114084 |
| Unchecked | IC50 | = | 870.0 | nM | 6.06 | Inhibition of NF kappa B dependent CDK8/CDK19 in HEK293 cell incubated for 3 hrs... | 35114084 |
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