Compound Detail
CHEMBL124416
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Basic Information
| ChEMBL ID | CHEMBL124416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBQILPJCXWICHS-UHMJSIGJSA-M |
| Parent Compound | CHEMBL1205634 |
| Active Moiety | CHEMBL1205634 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.05
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase TEM CHEMBL2065 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Metallo-beta-lactamase type 2 CHEMBL4840 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| IMI-1 CHEMBL5219 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase TEM | IC50 | = | 1.0 | nM | 9.0 | In vitro inhibitory activity against Class A (TEM-1) beta-Lactamases | 15214794 |
| Beta-lactamase | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibitory activity against Class C (Amp-C) beta-Lactamases | 15214794 |
| Metallo-beta-lactamase type 2 | IC50 | = | 14.0 | nM | 7.85 | In vitro inhibitory activity against Class B (CCRA) beta-Lactamases | 15214794 |
| IMI-1 | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases | 15214794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214794 | 10.1021/jm049903j | Beta-lactamase TEM | 1 |
| 15214794 | 10.1021/jm049903j | IMI-1 | 1 |
| 15214794 | 10.1021/jm049903j | Metallo-beta-lactamase type 2 | 1 |
| 15214794 | 10.1021/jm049903j | Beta-lactamase | 1 |
Data from ChEMBL 36 via Core Engine