Compound Detail
CHEMBL5407043
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COCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2[nH]nc(-c3ccc(OC)cc3)c12
Basic Information
| ChEMBL ID | CHEMBL5407043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVKZMCCULVJECN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
4.08
ALogP
7
HBA
2
HBD
107.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 6.41 | 6.41 | 391.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | IC50 | = | 391.2 | nM | 6.41 | Inhibition of MPS1 (unknown origin) | 37037136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37037136 | 10.1016/j.ejmech.2023.115334 | Dual specificity protein kinase TTK | 1 |
Data from ChEMBL 36 via Core Engine