Compound Detail
CHEMBL4078454
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Basic Information
| ChEMBL ID | CHEMBL4078454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFLGXECHDXSDGM-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
3.65
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 0.2 | nM | 9.7 | Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed i... | 28302507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28302507 | 10.1016/j.bmc.2017.02.038 | CDK8/Cyclin C | 1 |
Data from ChEMBL 36 via Core Engine