Compound Detail
CHEMBL5932677
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NCCN1CC[C@@H](NS(=O)(=O)c2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1
Basic Information
| ChEMBL ID | CHEMBL5932677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMKPKGKQGOYUFS-GFCCVEGCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
-1.53
ALogP
11
HBA
5
HBD
229.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 10.46 | 10.46 | 0.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 10.15 | 9.97 | 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 | = | 0.035 | nM | 10.46 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Unchecked | IC50 | = | 0.071 | nM | 10.15 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Unchecked | IC50 | = | 0.164 | nM | 9.79 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
Data from ChEMBL 36 via Core Engine