Compound Detail
CHEMBL5187910
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
O=C(O)c1ccc(NC(=S)Nc2nc(-c3ccc([N+](=O)[O-])c(S(=O)(=O)NCc4ccccc4)c3)cs2)cc1O
Basic Information
| ChEMBL ID | CHEMBL5187910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CINODQKJJCPQDL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
585.6
MW (Da)
4.41
ALogP
9
HBA
5
HBD
183.8
PSA (Ų)
0.11
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 5.6 | 5.6 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human SIRT5 using fluorogenic substrate preincubated for 1 hr in p... | 35932566 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human SIRT5 | 36543033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35932566 | 10.1016/j.ejmech.2022.114623 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 2 |
| 35932566 | 10.1016/j.ejmech.2022.114623 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 35932566 | 10.1016/j.ejmech.2022.114623 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 35932566 | 10.1016/j.ejmech.2022.114623 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 36543033 | 10.1016/j.ejmech.2022.115024 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine