Compound Detail
CHEMBL4637667
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 | CHEMBL4637667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKCKBJMUSGLXLU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.34
ALogP
7
HBA
1
HBD
82.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.47
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL4051 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | EC50 | = | 340.0 | nM | 6.47 | Activation of human CFTR expressed in rat FRT cells | 38107177 |
| Beta-glucuronidase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of beta-glucuronidase (unknown origin) | 31835168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38107177 | 10.1039/d3md00448a | Cystic fibrosis transmembrane conductance regulator | 2 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 1 |
| 38107177 | 10.1039/d3md00448a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine