Compound Detail
CHEMBL5208571
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Basic Information
| ChEMBL ID | CHEMBL5208571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXXWFJIPORGVTM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.10
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tau-tubulin kinase 1 CHEMBL1926492 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Tau-tubulin kinase 2 CHEMBL3337327 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tau-tubulin kinase 1 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of recombinant human TTBK1 using RICDLHDDEEDEAMSITA as substrate incu... | 34978799 |
| Tau-tubulin kinase 2 | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of recombinant human TTBK2 using RICDLHDDEEDEAMSITA as substrate incu... | 34978799 |
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 |
| 34978799 | 10.1021/acs.jmedchem.1c01942 | Unchecked | 1 |
| 34978799 | 10.1021/acs.jmedchem.1c01942 | ADMET | 1 |
| 34978799 | 10.1021/acs.jmedchem.1c01942 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine