Compound Detail
CHEMBL6046246
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Cc1ccc(-c2ccc(S(=O)(=O)[C@@H]3CCNC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)c2nc(N)sc12
Basic Information
| ChEMBL ID | CHEMBL6046246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULAJIXZNTGEIGE-SNVBAGLBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
0.82
ALogP
11
HBA
4
HBD
199.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 10.16 | 10.16 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 10.12 | 9.96 | 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 | = | 0.069 | nM | 10.16 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Unchecked | IC50 | = | 0.076 | nM | 10.12 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Unchecked | IC50 | = | 0.159 | nM | 9.8 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
Data from ChEMBL 36 via Core Engine