Compound Detail
CHEMBL162423
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 | CHEMBL162423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMCSRRHQLAVYRS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.76 | 5.76 | 1720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 270.0 | nM | 6.57 | Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50% | 11831887 |
| HCT-116 | IC50 | = | 1720.0 | nM | 5.76 | Concentration required to inhibit the HCT116 cell growth by 50%. | 11831887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831887 | 10.1021/jm015568c | Histone deacetylase | 3 |
| 11831887 | 10.1021/jm015568c | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine