Compound Detail
CHEMBL3930868
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 | CHEMBL3930868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGONTARJWHDAEF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
1.36
ALogP
5
HBA
3
HBD
96.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | IC50 | 4.85 | 4.85 | 14000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3 | IC50 | = | 14000.0 | nM | 4.85 | HDAC enzyme inhibitionAssay: HDAC enzyme inhibition assays were performed using ... | - |
| Histone deacetylase 3 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition Assay: HDAC inhibition assays can be performed, e.g., in a cell, in a... | - |
Data from ChEMBL 36 via Core Engine