Compound Detail
CHEMBL450495
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CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL450495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWCILALRNADNSI-XNZBMPBESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1213.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase HST2 CHEMBL5933 | Kd | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase HST2 | Kd | = | 8600.0 | nM | 5.07 | Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calori... | 17951578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17951578 | 10.1074/jbc.m707878200 | NAD-dependent protein deacetylase HST2 | 1 |
Data from ChEMBL 36 via Core Engine