Compound Detail
CHEMBL5181163
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Basic Information
| ChEMBL ID | CHEMBL5181163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYAZUVAPGBAUDQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
2.33
ALogP
4
HBA
3
HBD
87.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase CHEMBL1938222 | IC50 | 8.21 | 8.0333 | 6.1 | 3 |
| Tau-tubulin kinase 1 CHEMBL1926492 | IC50 | 5.99 | 5.99 | 1022.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 6.1 | nM | 8.21 | Inhibition of human GST tagged PIKFYVE (1493 to end residues) expressed in bacul... | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 6.1 | nM | 8.21 | Inhibition of PIKfyve (unknown origin) | 37981443 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 21.1 | nM | 7.68 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
| Tau-tubulin kinase 1 | IC50 | = | 1022.0 | nM | 5.99 | Inhibition of GST-tagged TTBK1 (1 to 421) (unknown origin) using DNA Topoisomera... | 33944571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36111834 | 10.1021/acs.jmedchem.2c00697 | 1-phosphatidylinositol 3-phosphate 5-kinase | 3 |
| 33944571 | 10.1021/acs.jmedchem.1c00382 | Tau-tubulin kinase 1 | 2 |
| 33944571 | 10.1021/acs.jmedchem.1c00382 | ADMET | 1 |
| 37981443 | 10.1016/j.ejmech.2023.115923 | 1-phosphatidylinositol 3-phosphate 5-kinase | 1 |
Data from ChEMBL 36 via Core Engine