Compound Detail
CHEMBL4645806
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CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4645806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKLJYLPKHJYYNK-JIXIRIEGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
712.9
MW (Da)
1.22
ALogP
9
HBA
8
HBD
240.5
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-6 CHEMBL2163182 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-6 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of sirtuin 6 (unknown origin) | 30342425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacylase sirtuin-6 | 1 |
Data from ChEMBL 36 via Core Engine