Compound Detail
CHEMBL454667
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
Basic Information
| ChEMBL ID | CHEMBL454667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NILWNMMLARFIAK-VTGSUHKRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
3.61
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of TrxR preincuabatd for 2 mins | 18678491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678491 | 10.1016/j.bmc.2008.07.054 | A549 | 2 |
| 18678491 | 10.1016/j.bmc.2008.07.054 | Unchecked | 1 |
| 18678491 | 10.1016/j.bmc.2008.07.054 | MCF7 | 1 |
| 18678491 | 10.1016/j.bmc.2008.07.054 | HepG2 | 1 |
| 21237663 | 10.1016/j.bmc.2010.12.039 | Lactoylglutathione lyase | 1 |
| 21070043 | 10.1021/jm1004545 | A549 | 1 |
| 21070043 | 10.1021/jm1004545 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine