Compound Detail
CHEMBL4448903
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Basic Information
| ChEMBL ID | CHEMBL4448903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGLGWAOKLCBLGB-VQHVLOKHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.78
ALogP
6
HBA
2
HBD
82.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human recombinant HDAC8 after 30 mins using fluorogenic substrate ... | 30004697 |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of sheep brain tubulin polymerization assessed as reduction in rate o... | 30004697 |
| Histone deacetylase 11 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human recombinant HDAC11 after 30 mins using fluorogenic substrate... | 30004697 |
| Histone deacetylase 6 | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of human recombinant HDAC6 after 30 mins using fluorogenic substrate ... | 30004697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30004697 | 10.1021/acs.jmedchem.8b00050 | HCT-116 | 1 |
| 30004697 | 10.1021/acs.jmedchem.8b00050 | Unchecked | 1 |
| 30004697 | 10.1021/acs.jmedchem.8b00050 | Histone deacetylase 6 | 1 |
| 30004697 | 10.1021/acs.jmedchem.8b00050 | Histone deacetylase 8 | 1 |
| 30004697 | 10.1021/acs.jmedchem.8b00050 | Histone deacetylase 11 | 1 |
Data from ChEMBL 36 via Core Engine