Compound Detail
CHEMBL3786740
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 | CHEMBL3786740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBOVOXQEMVYCHF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
5.26
ALogP
5
HBA
1
HBD
47.0
PSA (Ų)
0.70
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL2728 | IC50 | 5.38 | 5.38 | 4160.0 | 1 |
| Beta-glucuronidase CHEMBL4082 | IC50 | 5.38 | 5.38 | 4160.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.65 | 4.65 | 22610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 4160.0 | nM | 5.38 | Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation prei... | 26994638 |
| Beta-glucuronidase | IC50 | = | 4160.0 | nM | 5.38 | Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-d-glu... | 31835168 |
| Unchecked | IC50 | = | 22610.0 | nM | 4.65 | Inhibition of bacterial beta-glucuronidase using 4-nitrophenyl beta-D-glucuronop... | 31835168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26994638 | 10.1016/j.bmc.2016.03.020 | Beta-glucuronidase | 1 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Beta-glucuronidase | 1 |
| 31835168 | 10.1016/j.ejmech.2019.111921 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine