Compound Detail
CHEMBL5426373
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 | CHEMBL5426373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHCUCAALIWDSQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
2.48
ALogP
5
HBA
2
HBD
74.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.67 | 6.67 | 215.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 215.2 | nM | 6.67 | Inhibition of human recombinant HDAC1 using fluorogenic Boc-Lys (aetyl)-AMC as s... | 37498552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37498552 | 10.1021/acs.jmedchem.3c01008 | Histone deacetylase 1 | 1 |
| 37498552 | 10.1021/acs.jmedchem.3c01008 | Bel-7402 | 1 |
| 37498552 | 10.1021/acs.jmedchem.3c01008 | HepG2 | 1 |
| 37498552 | 10.1021/acs.jmedchem.3c01008 | Huh-7 | 1 |
| 37498552 | 10.1021/acs.jmedchem.3c01008 | AML12 | 1 |
Data from ChEMBL 36 via Core Engine