Compound Detail
CHEMBL5193906
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Basic Information
| ChEMBL ID | CHEMBL5193906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBMRETDBROLHGL-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.3
MW (Da)
3.25
ALogP
7
HBA
3
HBD
91.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tau-tubulin kinase 2 CHEMBL3337327 | IC50 | 8.8 | 7.785 | 1.6 | 2 |
| Tau-tubulin kinase 1 CHEMBL1926492 | IC50 | 8.57 | 7.03 | 2.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tau-tubulin kinase 2 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of TTBK2 (unknown origin) | 38759454 |
| Tau-tubulin kinase 1 | IC50 | = | 2.7 | nM | 8.57 | Inhibition of human recombinant catalytic domain TTBK1 (1 to 415 residues) extra... | 38759454 |
| Tau-tubulin kinase 1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of TTBK1 (unknown origin) | 34978799 |
| Tau-tubulin kinase 2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of TTBK2 (unknown origin) | 34978799 |
| Tau-tubulin kinase 1 | IC50 | = | 2510.0 | nM | 5.6 | Inhibition of GST-tagged TTBK1 (1 to 421) (unknown origin) using DNA Topoisomera... | 33944571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34978799 | 10.1021/acs.jmedchem.1c01942 | Tau-tubulin kinase 1 | 1 |
| 34978799 | 10.1021/acs.jmedchem.1c01942 | Tau-tubulin kinase 2 | 1 |
| 33944571 | 10.1021/acs.jmedchem.1c00382 | Tau-tubulin kinase 1 | 1 |
| 38759454 | 10.1016/j.ejmech.2024.116496 | Tau-tubulin kinase 1 | 1 |
| 38759454 | 10.1016/j.ejmech.2024.116496 | Tau-tubulin kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine