Compound Detail
CHEMBL5397969
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5397969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVBQLGWWTGUETJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.8
MW (Da)
3.53
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 80.0 | nM | 7.1 | Inhibition of His tagged human recombinant CDK8/Cyclin C expressed in baculoviru... | 37029334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37029334 | 10.1021/acs.jmedchem.2c01718 | CDK8/Cyclin C | 1 |
| 37029334 | 10.1021/acs.jmedchem.2c01718 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine