Compound Detail
CHEMBL4208668
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Basic Information
| ChEMBL ID | CHEMBL4208668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRHNVVBCKXBGOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
153.1
MW (Da)
-0.42
ALogP
4
HBA
1
HBD
78.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-6 CHEMBL2163182 | IC50 | 4.39 | 4.39 | 40400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-6 | IC50 | = | 40400.0 | nM | 4.39 | Inhibition of SIRT6 (unknown origin) | 34213345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29433927 | 10.1016/j.bmcl.2018.01.058 | Nicotinamide N-methyltransferase | 1 |
| 34213345 | 10.1021/acs.jmedchem.1c00601 | NAD-dependent protein deacylase sirtuin-6 | 1 |
Data from ChEMBL 36 via Core Engine