Compound Detail
CHEMBL5614345
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Nc1ccccc1NC(=O)c1ccc(S(=O)(=O)n2ccc3cc(OCCCN4CCCCC4)ccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL5614345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYUGEXCSSDWUML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
4.97
ALogP
7
HBA
2
HBD
106.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.61 | 6.61 | 243.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 243.0 | nM | 6.61 | Inhibition of C-terminal 6His/FLAG tagged full length human recombinant HDAC1 (1... | 39256214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39256214 | 10.1021/acs.jmedchem.4c01367 | Histone deacetylase 6 | 2 |
| 39256214 | 10.1021/acs.jmedchem.4c01367 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine