Compound Detail
CHEMBL5793032
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COc1ccc(-c2ccc(S(=O)(=O)CCN)c(S(N)(=O)=O)c2-c2nnn[nH]2)c2[nH]c(C(F)(F)F)nc12
Basic Information
| ChEMBL ID | CHEMBL5793032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLLYCIWIBFCTRU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.5
MW (Da)
0.82
ALogP
10
HBA
4
HBD
212.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.85 | 9.74 | 0.1 | 2 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 9.83 | 9.83 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.143 | nM | 9.85 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Metallo-beta-lactamase type 2 | IC50 | = | 0.147 | nM | 9.83 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Unchecked | IC50 | = | 0.233 | nM | 9.63 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
Data from ChEMBL 36 via Core Engine