Compound Detail
CHEMBL4646344
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C[C@H](NC(=O)[C@@H](CCCCNC(=S)CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1)NC(=O)OCc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4646344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQGRIGHVWONWGX-JADSYQMUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
738.9
MW (Da)
5.15
ALogP
8
HBA
6
HBD
172.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of sirtuin 2 (unknown origin) | 30342425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine