Compound Detail
CHEMBL197480
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O=C(/C=C/c1ccc2c(c1)C(=O)N([C@H](COC(=O)c1ccccc1)c1ccccc1)C2=O)NO
Basic Information
| ChEMBL ID | CHEMBL197480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKZVTZJZTUSGBC-XSEIIIHRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
3.40
ALogP
6
HBA
2
HBD
113.0
PSA (Ų)
0.19
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | EC50 | 6.12 | 6.12 | 763.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | EC50 | = | 763.0 | nM | 6.12 | Effective concentration for inhibition of histone deacetylase | 16137884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16137884 | 10.1016/j.bmcl.2005.07.048 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine