Compound Detail
CHEMBL1793977
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(CC(=O)O)c3ccccc23)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1793977 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SOGXSPMNYVWNRR-FTXZBAAWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
651.8
MW (Da)
3.09
ALogP
7
HBA
4
HBD
166.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Histone deacetylase CHEMBL3626 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 80.0 | nM | 7.1 | Binding affinity towards histone deacetylase (HDAC) enzyme derived from chicken ... | 11206439 |
| Histone deacetylase | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against histone deacetylase enzyme derived from partially pu... | 11206439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11124001 | 10.1021/jm0001976 | Histone deacetylase | 4 |
| 11206439 | 10.1016/s0960-894x(00)00605-3 | Unchecked | 1 |
| 11206439 | 10.1016/s0960-894x(00)00605-3 | Histone deacetylase | 1 |
| 11206439 | 10.1016/s0960-894x(00)00605-3 | Plasmodium falciparum | 1 |
| 11206439 | 10.1016/s0960-894x(00)00605-3 | Eimeria tenella | 1 |
| 11124001 | 10.1021/jm0001976 | NON-PROTEIN TARGET | 1 |
| 11124001 | 10.1021/jm0001976 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine