Compound Detail
CHEMBL146867
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CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCCCCC(=O)NO)Cc2ccc(cc2)OCCCC[C@H]1C(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL146867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCMKIRAAJDNOTI-CYXNTTPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.8
MW (Da)
4.08
ALogP
7
HBA
4
HBD
143.1
PSA (Ų)
0.14
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2095943 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 2100.0 | nM | 5.68 | Inhibitory concentration against rat liver Histone deacetylase | 14613312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine