Compound Detail
CHEMBL6040114
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 | CHEMBL6040114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXXJFAXXDDFSLG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
358.8
MW (Da)
3.67
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.54 | 7.54 | 28.9 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 28.9 | nM | 7.54 | HDAC Enzyme Activity Inhibition Assay (In Vitro): The effectiveness, or potency,... | - |
| Histone deacetylase 1 | IC50 | = | 6500.0 | nM | 5.19 | HDAC Enzyme Activity Inhibition Assay (In Vitro): The effectiveness, or potency,... | - |
Data from ChEMBL 36 via Core Engine