Compound Detail
CHEMBL1795565
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Basic Information
| ChEMBL ID | CHEMBL1795565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMZACNGXOXJZRR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
2.45
ALogP
7
HBA
2
HBD
121.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL5031 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| Beta-lactamase CHEMBL2725 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 9.6 | nM | 8.02 | Inhibition of Pseudomonas aeruginosa beta lactamase AmpC | 21664132 |
| Beta-lactamase | IC50 | = | 39.0 | nM | 7.41 | Inhibition of Enterobacter cloacae beta lactamase P99 | 21664132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21664132 | 10.1016/j.bmcl.2011.04.122 | Beta-lactamase | 3 |
| 21664132 | 10.1016/j.bmcl.2011.04.122 | Unchecked | 1 |
| 21664132 | 10.1016/j.bmcl.2011.04.122 | Beta-lactamase SHV-5 | 1 |
Data from ChEMBL 36 via Core Engine