Compound Detail
CHEMBL5802321
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NS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1-c1nn[nH]n1
Basic Information
| ChEMBL ID | CHEMBL5802321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWNUBBYODSZTFB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
-0.17
ALogP
10
HBA
4
HBD
207.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.95 | 9.895 | 0.1 | 2 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 9.81 | 9.81 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.112 | nM | 9.95 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Unchecked | IC50 | = | 0.144 | nM | 9.84 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Metallo-beta-lactamase type 2 | IC50 | = | 0.156 | nM | 9.81 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
Data from ChEMBL 36 via Core Engine