Compound Detail
CHEMBL3356938
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Basic Information
| ChEMBL ID | CHEMBL3356938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQHRRHBTUSQHKG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.45
ALogP
2
HBA
1
HBD
20.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 11 CHEMBL3310 | IC50 | 6.02 | 6.02 | 949.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 5.53 | 5.53 | 2930.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 4.45 | 4.45 | 35800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 11 | IC50 | = | 949.0 | nM | 6.02 | Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) su... | 25233084 |
| Histone deacetylase 1 | IC50 | = | 1750.0 | nM | 5.76 | Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 25233084 |
| Polyamine deacetylase HDAC10 | IC50 | = | 2930.0 | nM | 5.53 | Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) su... | 25233084 |
| Histone deacetylase 3 | IC50 | = | 35800.0 | nM | 4.45 | Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) sub... | 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 8 | 1 |
| 25233084 | 10.1021/jm5008209 | Histone deacetylase 6 | 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 |
Data from ChEMBL 36 via Core Engine