Compound Detail
CHEMBL5765772
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
NS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(-c2ccc3scnc3c2)c1-c1nnn[nH]1
Basic Information
| ChEMBL ID | CHEMBL5765772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOLILWYXCLWYSU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
0.54
ALogP
10
HBA
3
HBD
173.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.94 | 9.76 | 0.1 | 2 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.116 | nM | 9.94 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Metallo-beta-lactamase type 2 | IC50 | = | 0.15 | nM | 9.82 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Unchecked | IC50 | = | 0.261 | nM | 9.58 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
Data from ChEMBL 36 via Core Engine