Compound Detail
CHEMBL6065576
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 | CHEMBL6065576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGWVDWGXBYRXIX-BETUJISGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
1.70
ALogP
10
HBA
2
HBD
115.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 6.1 | 6.1 | 794.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 0.158 | nM | 9.8 | DNAPK Enzyme Potency Assay (DNA-PK Enz): The inhibitory activity of compounds ag... | - |
| Dual specificity protein kinase TTK | IC50 | = | 794.0 | nM | 6.1 | Enzyme Assay: The inhibitory activity of compounds against AURKA, AURKB, JAK1, J... | - |
| Dual specificity protein kinase TTK | IC50 | = | 794.0 | nM | 6.1 | TTK Enzyme Assay: The inhibitory activity of compounds against TTK was determine... | - |
Data from ChEMBL 36 via Core Engine