Compound Detail
CHEMBL4447689
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Basic Information
| ChEMBL ID | CHEMBL4447689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQZWYMZZUGYFIC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
2.42
ALogP
5
HBA
0
HBD
62.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.55
Kd 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.55 | 6.55 | 280.0 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Kd | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 280.0 | nM | 6.55 | Inhibition of mouse derived homozygous Tg0N4R P301S mutant tau-induced human ON4... | 32071678 |
| Cyclin-dependent kinase 8 | Kd | = | 600.0 | nM | 6.22 | Binding affinity to CDK8 (unknown origin) | 32071678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32071678 | 10.1021/acsmedchemlett.9b00480 | Unchecked | 2 |
| 32071678 | 10.1021/acsmedchemlett.9b00480 | ADMET | 1 |
| 32071678 | 10.1021/acsmedchemlett.9b00480 | Cyclin-dependent kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine