Compound Detail
CHEMBL3356525
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Basic Information
| ChEMBL ID | CHEMBL3356525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYJOCLMLIASQTH-JKSUJKDBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
2.27
ALogP
4
HBA
4
HBD
87.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.03 | 5.03 | 9380.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 9380.0 | nM | 5.03 | Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
| Histone deacetylase 11 | IC50 | = | 14200.0 | nM | 4.85 | Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) su... | 25233084 |
| Histone deacetylase 3 | IC50 | = | 17100.0 | nM | 4.77 | 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 11 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 1 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 2 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 8 | 1 |
| 25233084 | 10.1021/jm5008209 | Polyamine deacetylase HDAC10 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 3 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine