Compound Detail
CHEMBL3410066
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Basic Information
| ChEMBL ID | CHEMBL3410066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AISQWISHTMSJFQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.90
ALogP
5
HBA
2
HBD
71.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 7.6 | 7.0175 | 25.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | IC50 | = | 25.0 | nM | 7.6 | Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus express... | 32338514 |
| Dual specificity protein kinase TTK | IC50 | = | 25.0 | nM | 7.6 | Inhibition of human MPS1 | 38795520 |
| Dual specificity protein kinase TTK | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 m... | 25625617 |
| Dual specificity protein kinase TTK | IC50 | = | 1040.0 | nM | 5.98 | Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus express... | 32338514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32338514 | 10.1021/acs.jmedchem.9b02035 | Dual specificity protein kinase TTK | 2 |
| 25625617 | 10.1021/jm501599u | Dual specificity protein kinase TTK | 1 |
| 38795520 | 10.1016/j.ejmech.2024.116504 | Dual specificity protein kinase TTK | 1 |
Data from ChEMBL 36 via Core Engine