Compound Detail
CHEMBL5401609
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Basic Information
| ChEMBL ID | CHEMBL5401609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MARNUMYHDTZLRD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.61
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.33 | 7.33 | 46.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 46.45 | nM | 7.33 | Inhibition of human HDAC6 using Boc-Lys (acetyl)-AMC as substrate pretreated wit... | 36215854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36215854 | 10.1016/j.ejmech.2022.114705 | Histone deacetylase 1 | 1 |
| 36215854 | 10.1016/j.ejmech.2022.114705 | Histone deacetylase 6 | 1 |
| 36215854 | 10.1016/j.ejmech.2022.114705 | A549 | 1 |
Data from ChEMBL 36 via Core Engine