Compound Detail
CHEMBL272403
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 | CHEMBL272403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOEIGWXAPHHZRA-QFIPXVFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
5.77
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.26 | 6.7 | 55.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of human HDAC1 | 18247554 |
| Histone deacetylase 1 | IC50 | = | 720.0 | nM | 6.14 | Inhibition of HDAC1 from human HeLa cells | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 1 | 2 |
Data from ChEMBL 36 via Core Engine