Compound Detail
CHEMBL4780986
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Basic Information
| ChEMBL ID | CHEMBL4780986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHMBNOOUSWWUFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
1.43
ALogP
5
HBA
2
HBD
91.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 8/19 CHEMBL3885556 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| CDK8/CDK19 CHEMBL4888455 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/CDK19 | EC50 | = | 2800.0 | nM | 5.55 | Inhibition of CDK8/CDK19 assessed as rescue of proliferation of RPS19-deficient ... | - |
| Cyclin-dependent kinase 8/19 | EC50 | = | 2800.0 | nM | 5.55 | The CDK8/CDK19 Inhibitor DBA-8 Rescues Proliferation of RPS19-Deficient Erythroi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine