Compound Detail
CHEMBL402718
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 | CHEMBL402718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGQYQVJKMZAQBV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.28
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of HDAC2 in HeLa cell lysates | 17892933 |
| HCT-116 | IC50 | = | 2400.0 | nM | 5.62 | Growth inhibition of human HCT116 cells by SRB assay | 17892933 |
| NCI-H460 | IC50 | = | 5500.0 | nM | 5.26 | Growth inhibition of human H460 cells by SRB assay | 17892933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17892933 | 10.1016/j.bmcl.2007.09.014 | Histone deacetylase 2 | 1 |
| 17892933 | 10.1016/j.bmcl.2007.09.014 | NB-4 | 1 |
| 17892933 | 10.1016/j.bmcl.2007.09.014 | NCI-H460 | 1 |
| 17892933 | 10.1016/j.bmcl.2007.09.014 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine