Compound Detail
CHEMBL3356526
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Basic Information
| ChEMBL ID | CHEMBL3356526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLWFKMKFFURSPO-IRXDYDNUSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.61
ALogP
4
HBA
3
HBD
78.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
| Histone deacetylase 11 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) su... | 25233084 |
| Polyamine deacetylase HDAC10 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) su... | 25233084 |
| Histone deacetylase 3 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
| Histone deacetylase 1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
| Histone deacetylase 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
| Histone deacetylase 8 | IC50 | = | 202.0 | nM | 6.7 | Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac)... | 25233084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine