Compound Detail
CHEMBL1207337
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Basic Information
| ChEMBL ID | CHEMBL1207337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACQFJWSLWQLLIA-PLWQYUFKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
1.31
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.0967 | 55.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Inhibition of Beta-lactamase TEM-1 | 19075067 |
| Unchecked | IC50 | = | 62.0 | nM | 7.21 | Inhibition of Enterobacter cloacae Beta-lactamase AmpC | 19075067 |
| Unchecked | IC50 | = | 151.0 | nM | 6.82 | Inhibition of Klebsiella pneumoniae Beta-lactamase SHV-1 | 19075067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19075067 | 10.1128/aac.00085-08 | Staphylococcus aureus | 4 |
| 19075067 | 10.1128/aac.00085-08 | Unchecked | 3 |
| 19075067 | 10.1128/aac.00085-08 | Moraxella catarrhalis | 3 |
| 19075067 | 10.1128/aac.00085-08 | Enterobacter cloacae | 3 |
| 19075067 | 10.1128/aac.00085-08 | Klebsiella sp. | 3 |
| 19075067 | 10.1128/aac.00085-08 | Escherichia coli | 3 |
| 19075067 | 10.1128/aac.00085-08 | Citrobacter freundii | 1 |
| 19075067 | 10.1128/aac.00085-08 | Enterococcus sp. | 1 |
| 19075067 | 10.1128/aac.00085-08 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine