Compound Detail
CHEMBL5199026
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Basic Information
| ChEMBL ID | CHEMBL5199026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIVFOAKTTGQHLJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.96
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase CHEMBL1938222 | IC50 | 6.15 | 5.7633 | 715.0 | 3 |
| Murine hepatitis virus CHEMBL613733 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 715.0 | nM | 6.15 | Affinity Biochemical interaction: (Enzymatic assay) EUB0001877a PIKFYVE | - |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 720.0 | nM | 6.14 | Inhibition of human GST tagged PIKFYVE (1493 to end residues) expressed in bacul... | 36111834 |
| Murine hepatitis virus | IC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against MHV-nLuc infected in DBT cells assessed as effect on ... | 36111834 |
| 1-phosphatidylinositol 3-phosphate 5-kinase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay | 36111834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 9 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 5 |
| 36111834 | 10.1021/acs.jmedchem.2c00697 | 1-phosphatidylinositol 3-phosphate 5-kinase | 4 |
| 36111834 | 10.1021/acs.jmedchem.2c00697 | Unchecked | 4 |
| 36111834 | 10.1021/acs.jmedchem.2c00697 | Murine hepatitis virus | 2 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5446079 | 1-phosphatidylinositol 3-phosphate 5-kinase | 1 |
| - | 10.6019/CHEMBL5445981 | 1-phosphatidylinositol 3-phosphate 5-kinase | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| 36111834 | 10.1021/acs.jmedchem.2c00697 | Microtubule-associated serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine