Compound Detail
CHEMBL4862510
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Basic Information
| ChEMBL ID | CHEMBL4862510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZBVZNKZPACUDP-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
3.71
ALogP
5
HBA
3
HBD
95.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Histone deacetylase 9 CHEMBL4145 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 4.6 | nM | 8.34 | Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculov... | 33845233 |
| Histone deacetylase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as ... | 33845233 |
| Histone deacetylase 3 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of HDAC3 (unknown origin) | 33845233 |
| Histone deacetylase 7 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed ... | 33845233 |
| Histone deacetylase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of HDAC1 (unknown origin) | 33845233 |
| Histone deacetylase 9 | IC50 | = | 590.0 | nM | 6.23 | Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed... | 33845233 |
| Histone deacetylase 4 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of N-terminal GST-tagged and C-terminal His-tagged human HDAC4 (627 t... | 33845233 |
| Histone deacetylase 2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of HDAC2 (unknown origin) | 33845233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33845233 | 10.1016/j.ejmech.2021.113419 | SH-SY5Y | 4 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Histone deacetylase 6 | 2 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Histone deacetylase | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Histone deacetylase 4 | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Histone deacetylase 7 | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Histone deacetylase 9 | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Amyloid-beta precursor protein | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Acetylcholinesterase | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Histone deacetylase 1 | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Histone deacetylase 2 | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Histone deacetylase 3 | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | Class 1 histone deacetylase | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | N2a | 1 |
| 33845233 | 10.1016/j.ejmech.2021.113419 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine