Compound Detail
CHEMBL5411825
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Basic Information
| ChEMBL ID | CHEMBL5411825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPRWPVWJJFDDRK-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
3.82
ALogP
5
HBA
1
HBD
62.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 0.83 | nM | 9.08 | Inhibition of His tagged human recombinant CDK8/Cyclin C expressed in baculoviru... | 37029334 |
| MV4-11 | IC50 | = | 6.2 | nM | 8.21 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 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