Compound Detail
CHEMBL1795563
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Basic Information
| ChEMBL ID | CHEMBL1795563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBGPDTXUSIZENA-NDENLUEZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.3
MW (Da)
1.42
ALogP
9
HBA
3
HBD
159.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2725 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Beta-lactamase CHEMBL5031 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of Enterobacter cloacae beta lactamase P99 | 21664132 |
| Beta-lactamase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Pseudomonas aeruginosa beta lactamase AmpC | 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