Compound Detail
CHEMBL5433683
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Basic Information
| ChEMBL ID | CHEMBL5433683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YURJZODGZORJTC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.05
ALogP
4
HBA
3
HBD
97.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.49 | 6.49 | 321.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.36 | 6.36 | 433.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 4.18 | 4.18 | 66200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 321.0 | nM | 6.49 | Inhibition of human recombinant HDAC1 using fluorogenic p53 (379-382 residues) (... | 36549114 |
| Histone deacetylase 3 | IC50 | = | 433.0 | nM | 6.36 | Inhibition of human recombinant HDAC3 using fluorogenic p53 (379-382 residues) (... | 36549114 |
| Histone deacetylase 8 | IC50 | = | 66200.0 | nM | 4.18 | Inhibition of human recombinant HDAC8 using fluorogenic diacetylated p53 (379-38... | 36549114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 1 | 1 |
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 3 | 1 |
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 4 | 1 |
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 6 | 1 |
| 36549114 | 10.1016/j.ejmech.2022.115022 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine