Compound Detail
CHEMBL4644988
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CC(=O)Nc1ccc(N)cc1-c1ccc(C2(C(=O)Nc3ccc(C(=O)NO)cc3)CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4644988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFQFOOBCJXZMNE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.85
ALogP
5
HBA
5
HBD
133.6
PSA (Ų)
0.19
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- G... | 32383881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32383881 | 10.1021/acs.jmedchem.0c00230 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine