Compound Detail
CHEMBL3770731
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Basic Information
| ChEMBL ID | CHEMBL3770731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRYPKOZARLKNHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.9
MW (Da)
3.92
ALogP
7
HBA
1
HBD
80.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 30900.0 | nM | 4.51 | Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using Z... | 26696402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26696402 | 10.1021/acs.jmedchem.5b01517 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 26696402 | 10.1021/acs.jmedchem.5b01517 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine