Compound Detail
CHEMBL5419486
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5419486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNNBKXWAICUKOY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
3.51
ALogP
8
HBA
3
HBD
103.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | IC50 | = | 35.0 | nM | 7.46 | 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