Compound Detail
CHEMBL542389
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 | CHEMBL542389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSYPKSLLAKUBQZ-WSZWBAFRSA-N |
| Parent Compound | CHEMBL1191312 |
| Active Moiety | CHEMBL1191312 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
201.3
MW (Da)
-1.72
ALogP
5
HBA
4
HBD
67.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxicity for relative cell viability compared to untreated control in Primar... | 12747777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747777 | 10.1021/jm021060d | Unchecked | 2 |
| 12747777 | 10.1021/jm021060d | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine