Compound Detail
CHEMBL3356939
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Basic Information
| ChEMBL ID | CHEMBL3356939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACYSJVQNEBVOLM-OALUTQOASA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
417.6
MW (Da)
2.21
ALogP
4
HBA
3
HBD
78.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 11 CHEMBL3310 | IC50 | 6.53 | 6.53 | 293.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.24 | 6.24 | 582.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.65 | 5.65 | 2230.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 5.2 | 5.2 | 6330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 11 | IC50 | = | 293.0 | nM | 6.53 | Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) su... | 25233084 |
| Histone deacetylase 6 | IC50 | = | 582.0 | nM | 6.24 | Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
| Histone deacetylase 8 | IC50 | = | 2230.0 | nM | 5.65 | Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac)... | 25233084 |
| Histone deacetylase 1 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
| Polyamine deacetylase HDAC10 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) su... | 25233084 |
| Histone deacetylase 3 | IC50 | = | 6330.0 | nM | 5.2 | Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 8 | 1 |
| 25233084 | 10.1021/jm5008209 | Polyamine deacetylase HDAC10 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 11 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 2 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 1 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 3 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine