Compound Detail
CHEMBL5429127
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
CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3cc(C(=O)NCc4ccc(C(=O)NO)cc4)ccn3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5429127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVCBHRYFZHGKKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
560.6
MW (Da)
4.82
ALogP
7
HBA
3
HBD
130.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.2 | 8.2 | 6.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 6.38 | nM | 8.2 | Inhibition of C-terminal FLAG tagged recombinant human HDAC1 expressed in Sf9 ce... | 37086699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37086699 | 10.1016/j.ejmech.2023.115367 | Lysine-specific histone demethylase 1A | 1 |
| 37086699 | 10.1016/j.ejmech.2023.115367 | Histone deacetylase 1 | 1 |
| 37086699 | 10.1016/j.ejmech.2023.115367 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine