Compound Detail
CHEMBL3621295
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 | CHEMBL3621295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMQGJWXACDXDFY-AQTBWJFISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
3.91
ALogP
4
HBA
5
HBD
123.3
PSA (Ų)
0.18
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.35 | 6.35 | 443.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 443.0 | nM | 6.35 | Inhibition of HDAC isolated from human HeLa cells by fluorimetric assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00211C | Histone deacetylase | 2 |
| - | 10.1039/C4MD00211C | Platelet-derived growth factor receptor beta | 1 |
| - | 10.1039/C4MD00211C | Platelet-derived growth factor receptor alpha | 1 |
| - | 10.1039/C4MD00211C | Vascular endothelial growth factor receptor 2 | 1 |
| - | 10.1039/C4MD00211C | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine