Compound Detail
CHEMBL3704923
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C#Cc1ccc(CNC(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]32)cc1
Basic Information
| ChEMBL ID | CHEMBL3704923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAHJAESFRLNRDH-RZSQEPJQSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
591.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | IC50 | 7.27 | 7.27 | 53.8 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.9 | 6.9 | 124.7 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.05 | 6.05 | 881.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 34.0 | nM | 7.47 | Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluor... | - |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 53.8 | nM | 7.27 | Reductase Activity Assay: The HMGR activity was performed using HMG-CoA reductas... | - |
| Histone deacetylase 1 | IC50 | = | 124.7 | nM | 6.9 | Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluor... | - |
| Histone deacetylase 2 | IC50 | = | 881.8 | nM | 6.05 | Fluorescent Activity Assay: The HDAC activity was performed using the HDAC fluor... | - |
Data from ChEMBL 36 via Core Engine