Compound Detail
CHEMBL3237343
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
N#Cc1ccc2[nH]cc(C(c3ccccc3[N+](=O)[O-])c3c[nH]c4ccc(C#N)cc34)c2c1
Basic Information
| ChEMBL ID | CHEMBL3237343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRWMFAOYHGQRJW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
5.48
ALogP
4
HBA
2
HBD
122.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL4082 | IC50 | 4.7 | 4.7 | 19900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 19900.0 | nM | 4.7 | Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuro... | 24602903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24602903 | 10.1016/j.bmcl.2014.02.015 | Beta-glucuronidase | 1 |
Data from ChEMBL 36 via Core Engine