Compound Detail
CHEMBL2018452
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2018452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRTPVXBTIBXZAF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.37
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.37 | 5.37 | 4320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 0.872 | nM | 9.06 | Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubate... | 22165909 |
| Histone deacetylase 1 | IC50 | = | 4320.0 | nM | 5.37 | Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubate... | 22165909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22165909 | 10.1021/jm200773h | Histone deacetylase 6 | 1 |
| 22165909 | 10.1021/jm200773h | Histone deacetylase 1 | 1 |
| 22165909 | 10.1021/jm200773h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine