Compound Detail
CHEMBL3935366
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Basic Information
| ChEMBL ID | CHEMBL3935366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJSREVGITAJCEL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
2.20
ALogP
12
HBA
2
HBD
137.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 8.7 | 7.9067 | 2.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | IC50 | = | 2.0 | nM | 8.7 | Inhibition Kinase Assay: The enzyme reaction (total volume 10 μl) was carried ou... | - |
| Dual specificity protein kinase TTK | IC50 | = | 31.0 | nM | 7.51 | Enzyme Inhibition Assay: The enzyme reaction (total volume 10 μl) was carried ou... | - |
| Dual specificity protein kinase TTK | IC50 | = | 31.0 | nM | 7.51 | Measurement of Inhibition of MPS1 Kinase: The enzyme reaction (total volume 10 μ... | - |
Data from ChEMBL 36 via Core Engine