Compound Detail
CHEMBL5190455
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Basic Information
| ChEMBL ID | CHEMBL5190455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPATYMTVHBVJAQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.00
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase CHEMBL1938222 | IC50 | 6.37 | 6.27 | 430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 430.0 | nM | 6.37 | Inhibition of human GST tagged PIKFYVE (1493 to end residues) expressed in bacul... | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 683.0 | nM | 6.17 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36111834 | 10.1021/acs.jmedchem.2c00697 | 1-phosphatidylinositol 3-phosphate 5-kinase | 3 |
Data from ChEMBL 36 via Core Engine