Compound Detail
CHEMBL5839291
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Basic Information
| ChEMBL ID | CHEMBL5839291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVAUFHFQTYQRDP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
1.88
ALogP
10
HBA
1
HBD
104.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 5.1 | 5.1 | 7943.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 1.26 | nM | 8.9 | DNAPK Enzyme Potency Assay (DNA-PK Enz): The inhibitory activity of compounds ag... | - |
| Dual specificity protein kinase TTK | IC50 | = | 7943.0 | nM | 5.1 | Enzyme Assay: The inhibitory activity of compounds against AURKA, AURKB, JAK1, J... | - |
| Dual specificity protein kinase TTK | IC50 | = | 7943.0 | nM | 5.1 | TTK Enzyme Assay: The inhibitory activity of compounds against TTK was determine... | - |
Data from ChEMBL 36 via Core Engine