Compound Detail
CHEMBL5186022
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Basic Information
| ChEMBL ID | CHEMBL5186022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQYUOVFSBDSKPL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
0.64
ALogP
8
HBA
3
HBD
125.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HDAC6 (unknown origin) | 36272186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36272186 | 10.1016/j.bmc.2022.117067 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 36272186 | 10.1016/j.bmc.2022.117067 | Histone deacetylase 6 | 2 |
Data from ChEMBL 36 via Core Engine