Compound Detail
CHEMBL1673091
PENEM-1 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1673091 |
| Name | PENEM-1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIQJFYXOGLAPEL-GPWUBDCCSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
1.31
ALogP
6
HBA
1
HBD
75.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.35 | 6.01 | 45.0 | 2 |
| Beta-lactamase SHV-5 CHEMBL1075174 | Ki | 4.55 | 4.55 | 28030.0 | 1 |
| Beta-lactamase SHV-95 CHEMBL2233619 | Ki | 4.34 | 4.34 | 46170.0 | 1 |
| Extended-spectrum beta-lactamase SHV-48 CHEMBL2233620 | Ki | 4.26 | 4.26 | 54370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 45.0 | nM | 7.35 | Inhibition of beta-lactamase OXA-1 expressed in Escherichia coli BL21 (DE3) usin... | 18559643 |
| Unchecked | Ki | = | 21430.0 | nM | 4.67 | Inhibition of beta-lactamase SHV-61 | - |
| Beta-lactamase SHV-5 | Ki | = | 28030.0 | nM | 4.55 | Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105 | - |
| Beta-lactamase SHV-95 | Ki | = | 46170.0 | nM | 4.34 | Inhibition of Citrobacter freundii beta-lactamase SHV-95 | - |
| Extended-spectrum beta-lactamase SHV-48 | Ki | = | 54370.0 | nM | 4.26 | Inhibition of Acinetobacter baumannii beta-lactamase SHV-48 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18559643 | 10.1128/aac.01677-07 | Unchecked | 6 |
| - | 10.1007/s00044-011-9736-8 | Beta-lactamase SHV-5 | 1 |
| - | 10.1007/s00044-011-9736-8 | Beta-lactamase SHV-95 | 1 |
| - | 10.1007/s00044-011-9736-8 | Beta-lactamase SHV-1 | 1 |
| - | 10.1007/s00044-011-9736-8 | Unchecked | 1 |
| - | 10.1007/s00044-011-9736-8 | Extended-spectrum beta-lactamase SHV-48 | 1 |
Data from ChEMBL 36 via Core Engine