Compound Detail
CHEMBL4640205
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 | CHEMBL4640205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAMDRPKVOXXBDI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.67
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 7.22 | 6.9 | 59.6 | 2 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 59.6 | nM | 7.22 | Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addit... | 32672458 |
| Histone deacetylase 6 | IC50 | = | 175.0 | nM | 6.76 | Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculo... | 32672458 |
| Histone deacetylase 8 | IC50 | = | 264.0 | nM | 6.58 | Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculov... | 32672458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32672458 | 10.1021/acs.jmedchem.0c01025 | Histone deacetylase 8 | 2 |
| 32672458 | 10.1021/acs.jmedchem.0c01025 | Histone deacetylase 3 | 1 |
| 32672458 | 10.1021/acs.jmedchem.0c01025 | Histone deacetylase 6 | 1 |
| 32672458 | 10.1021/acs.jmedchem.0c01025 | Histone deacetylase 11 | 1 |
Data from ChEMBL 36 via Core Engine