Compound Detail
CHEMBL4642633
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 | CHEMBL4642633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDYYKIGRLAPYOH-XDUWNTRXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
-2.14
ALogP
5
HBA
5
HBD
110.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.22 | 5.72 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | Inhibition of bovine liver beta-glucuronidase | 31835168 |
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of bacterial beta-glucuronidase using 4-nitrophenyl beta-D-glucuronop... | 31835168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31835168 | 10.1016/j.ejmech.2019.111921 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine