Compound Detail
CHEMBL5747830
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Basic Information
| ChEMBL ID | CHEMBL5747830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUMVYUASFRNBGF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
-0.93
ALogP
10
HBA
4
HBD
204.1
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 10.02 | 9.8933 | 0.1 | 3 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 9.85 | 9.85 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.095 | nM | 10.02 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Metallo-beta-lactamase type 2 | IC50 | = | 0.143 | nM | 9.85 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Unchecked | IC50 | = | 0.147 | nM | 9.83 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Unchecked | IC50 | = | 0.147 | nM | 9.83 | Enzyme Activity: Determination of IC50 : The Class B enzyme activities were meas... | - |
Data from ChEMBL 36 via Core Engine