Compound Detail
CHEMBL304733
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Basic Information
| ChEMBL ID | CHEMBL304733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSLMOTNPSSTYJX-KYNBSPCLSA-M |
| Parent Compound | CHEMBL1206752 |
| Active Moiety | CHEMBL1206752 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
0.52
ALogP
4
HBA
2
HBD
87.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterobacter cloacae CHEMBL349 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterobacter cloacae | IC50 | = | 2.0 | nM | 8.7 | Tested in vitro for the beta lactamase inhibition of Enterobacter cloacae | - |
| Escherichia coli | IC50 | = | 3000.0 | nM | 5.52 | Tested in vitro for the beta lactamase inhibition of Escherichia coli TEM | - |
Literature References
Data from ChEMBL 36 via Core Engine