Compound Detail
CHEMBL4743522
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 | CHEMBL4743522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDNCCASXFWTWGC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
4.15
ALogP
4
HBA
2
HBD
50.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.49 | 5.49 | 3270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3270.0 | nM | 5.49 | Activation of NF-KappaB (unknown origin) expressed in SH-SY5Y cells co-transfect... | 33139114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33139114 | 10.1016/j.ejmech.2020.112952 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine