Compound Detail
CHEMBL4528881
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Basic Information
| ChEMBL ID | CHEMBL4528881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPHQVUNMCJRXJP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.3
MW (Da)
4.01
ALogP
7
HBA
4
HBD
100.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tau-tubulin kinase 1 CHEMBL1926492 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Tau-tubulin kinase 2 CHEMBL3337327 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tau-tubulin kinase 1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of TTBK1 (unknown origin) | 30342424 |
| Tau-tubulin kinase 2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of TTBK2 (unknown origin) | 30342424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30342424 | 10.1016/j.ejmech.2018.10.030 | Tau-tubulin kinase 2 | 1 |
| 30342424 | 10.1016/j.ejmech.2018.10.030 | Tau-tubulin kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine