Compound Detail
CHEMBL4577801
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
COC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)c1ccccn1
Basic Information
| ChEMBL ID | CHEMBL4577801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILXPVEXXHFDBTO-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
4.63
ALogP
6
HBA
1
HBD
86.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 20400.0 | nM | 4.69 | 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