Compound Detail
CHEMBL4562248
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COC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NCc1cnc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL4562248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDQASEYMKRSBHN-UMSFTDKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
6.15
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substra... | 30885568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30885568 | 10.1016/j.bmc.2019.03.003 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine