Compound Detail
CHEMBL3330413
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Basic Information
| ChEMBL ID | CHEMBL3330413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZZCCARVHSMPGQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
2.44
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins... | 25043312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25043312 | 10.1016/j.bmc.2014.06.027 | Dual specificity protein kinase TTK | 1 |
Data from ChEMBL 36 via Core Engine