Compound Detail
CHEMBL4744479
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Basic Information
| ChEMBL ID | CHEMBL4744479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMIDPYMXHVUIIM-ROUUACIJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.16
ALogP
5
HBA
2
HBD
86.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of HDAC6 (unknown origin) | 29133060 |
| Histone deacetylase 8 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of HDAC8 (unknown origin) | 29133060 |
| Histone deacetylase 11 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of HDAC11 (unknown origin) | 29133060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Polyamine deacetylase HDAC10 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 7 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 9 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 5 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 4 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 3 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 1 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 2 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 11 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 8 | 1 |
| 29133060 | 10.1016/j.ejmech.2017.10.040 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine