Compound Detail
CHEMBL95842
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 | CHEMBL95842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UADWXCDPLQXOHC-XUTLUUPISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.96
ALogP
3
HBA
2
HBD
69.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration against recombinant human Histone deacetylase 1 | 14613312 |
| Histone deacetylase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition against partially purified human histone deacetylase 1 (HDAC-1) | 12061890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613312 | 10.1021/jm0303094 | Histone deacetylase 1 | 1 |
| 12061890 | 10.1021/jm020154k | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine