Compound Detail
CHEMBL5559510
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Basic Information
| ChEMBL ID | CHEMBL5559510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYHIGHZHFZXIFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.7
MW (Da)
6.45
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.92 | 4.92 | 12020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 12020.0 | nM | 4.92 | Inhibition of recombinant SIRT2 (unknown origin) deacetylase activity using Ac-R... | 38484678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38484678 | 10.1016/j.ejmech.2024.116302 | Panel NCI-60 (60 carcinoma cell lines) | 3 |
| 38484678 | 10.1016/j.ejmech.2024.116302 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine