Compound Detail
CHEMBL5561031
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Basic Information
| ChEMBL ID | CHEMBL5561031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLBNHZBQXJDVGJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.2
MW (Da)
4.70
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK8/Cyclin C CHEMBL3038474 | IC50 | 6.86 | 6.86 | 139.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/Cyclin C | IC50 | = | 139.3 | nM | 6.86 | Displacement of tracer 236 from CDK8/cyclin C (unknown origin) preincubated for ... | 38690856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38690856 | 10.1021/acs.jmedchem.4c00248 | CDK8/Cyclin C | 1 |
| 38690856 | 10.1021/acs.jmedchem.4c00248 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine