Compound Detail
CHEMBL4590543
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Basic Information
| ChEMBL ID | CHEMBL4590543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBOGVKUFJVSYIU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
0.14
ALogP
5
HBA
5
HBD
119.6
PSA (Ų)
0.17
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.65 | 5.65 | 2240.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.01 | 5.01 | 9850.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 4.9 | 4.9 | 12580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 2240.0 | nM | 5.65 | Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus infect... | 30996781 |
| Glycogen synthase kinase-3 beta | IC50 | = | 9850.0 | nM | 5.01 | Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30... | 30996781 |
| Histone deacetylase 6 | IC50 | = | 12580.0 | nM | 4.9 | Inhibition of human recombinant his tagged HDAC6 expressed in baculovirus infect... | 30996781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996781 | 10.1021/acsmedchemlett.8b00507 | Histone deacetylase 6 | 1 |
| 30996781 | 10.1021/acsmedchemlett.8b00507 | Histone deacetylase 1 | 1 |
| 30996781 | 10.1021/acsmedchemlett.8b00507 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine