Compound Detail
CHEMBL2417784
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Basic Information
| ChEMBL ID | CHEMBL2417784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMIDYBQMXWFUIG-CQSZACIVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
2.98
ALogP
5
HBA
3
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.55 | 6.55 | 280.0 | 2 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of HDAC6 (unknown origin) | 23627282 |
| Histone deacetylase 6 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of human full length recombinant HDAC6 expressed in baculovirus infec... | 33035922 |
| Histone deacetylase 3 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of HDAC3 (unknown origin) | 23627282 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human recombinant HDAC3/NCOR2 expressed in baculovirus infected Sf... | 33035922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 4 | 1 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 6 | 1 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 5 | 1 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 3 | 1 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 2 | 1 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 1 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 1 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 2 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Histone deacetylase 6 | 1 |
| 33035922 | 10.1016/j.ejmech.2020.112887 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine