Compound Detail
CHEMBL1790598
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CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCCN(O)C=O)NC(=O)[C@@H]2CCCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL1790598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCBOZRVKRVLULH-LFOFZZIDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.7
MW (Da)
1.93
ALogP
7
HBA
4
HBD
157.4
PSA (Ų)
0.12
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL3832944 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 1350.0 | nM | 5.87 | Inhibitory activity against histone deacetylases (HDAC) prepared from mouse mela... | 15109626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109626 | 10.1016/j.bmcl.2004.03.018 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine