Compound Detail
CHEMBL5766440
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NCCNS(=O)(=O)c1ccc(-c2cccc3oc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL5766440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJZITJYNLXIFBE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
-0.86
ALogP
11
HBA
5
HBD
238.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 10.72 | 10.72 | 0.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 10.3 | 10.14 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 | IC50 | = | 0.019 | nM | 10.72 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Unchecked | IC50 | = | 0.05 | nM | 10.3 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Unchecked | IC50 | = | 0.105 | nM | 9.98 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
Data from ChEMBL 36 via Core Engine