Compound Detail
CHEMBL5906819
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Basic Information
| ChEMBL ID | CHEMBL5906819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGTLBSGOPOBCFZ-VQHVLOKHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.01
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 9.27 | 9.27 | 0.5 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.79 | 8.79 | 1.6 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.93 | 7.93 | 11.7 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.85 | 7.85 | 14.2 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.14 | 6.14 | 725.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 0.54 | nM | 9.27 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 1 | IC50 | = | 1.64 | nM | 8.79 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 6 | IC50 | = | 11.7 | nM | 7.93 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 2 | IC50 | = | 14.2 | nM | 7.85 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
| Histone deacetylase 8 | IC50 | = | 725.0 | nM | 6.14 | HDAC Inhibition Assay: All histone deacetylases were purchased from BPS Bioscien... | - |
Data from ChEMBL 36 via Core Engine