Compound Detail
CHEMBL6049499
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Cn1c(N)nc2cccc(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c21
Basic Information
| ChEMBL ID | CHEMBL6049499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNNOCAGWWKOMCL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
-0.60
ALogP
11
HBA
4
HBD
204.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 9.97 | 9.97 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.81 | 9.205 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 | IC50 | = | 0.108 | nM | 9.97 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Unchecked | IC50 | = | 0.153 | nM | 9.81 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Unchecked | IC50 | = | 2.5 | nM | 8.6 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
Data from ChEMBL 36 via Core Engine