Compound Detail
CHEMBL5283395
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Basic Information
| ChEMBL ID | CHEMBL5283395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAXZERYOFDXUJS-ZZXKWVIFSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
2.28
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| HL-60 CHEMBL383 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 5.2 | nM | 8.28 | Inhibition of HDAC3 (unknown origin) | 32791404 |
| Histone deacetylase 1 | IC50 | = | 5.2 | nM | 8.28 | Inhibition of HDAC1 (unknown origin) | 32791404 |
| Histone deacetylase 6 | IC50 | = | 5.2 | nM | 8.28 | Inhibition of HDAC6 (unknown origin) | 32791404 |
| HL-60 | IC50 | = | 770.0 | nM | 6.11 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 32791404 |
| Unchecked | IC50 | = | 770.0 | nM | 6.11 | Cytotoxicity against human HuT 102 cells assessed as inhibition of cell growth b... | 32791404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32791404 | 10.1016/j.ejmech.2020.112679 | Histone deacetylase 3 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | HL-60 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | Histone deacetylase 1 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | Histone deacetylase 6 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | Unchecked | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | A549 | 1 |
Data from ChEMBL 36 via Core Engine