Compound Detail
CHEMBL5433818
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Basic Information
| ChEMBL ID | CHEMBL5433818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPVJCSDHDWQTEK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.46
ALogP
8
HBA
3
HBD
109.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | IC50 | = | 49.0 | nM | 7.31 | Inhibition of Mps1 (unknown origin) incubated for 120 mins in presence of substr... | 36370549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36370549 | 10.1016/j.ejmech.2022.114887 | Dual specificity protein kinase TTK | 1 |
Data from ChEMBL 36 via Core Engine