Compound Detail
CHEMBL452168
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CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL452168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSNOAGUZUPZLGR-QMHFZKCHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1076.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) CHEMBL2111429 | IC50 | 6.65 | 6.65 | 223.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) | IC50 | = | 223.4 | nM | 6.65 | Inhibition of HDAC1/2 from human HeLa cells nuclear extract by cell free fluorim... | 19093884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19093884 | 10.1021/jm801128g | Histone deacetylase (HDAC1 and HDAC2) | 1 |
| 19093884 | 10.1021/jm801128g | Histone deacetylase 8 | 1 |
| 19093884 | 10.1021/jm801128g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine