Compound Detail
CHEMBL2087628
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Basic Information
| ChEMBL ID | CHEMBL2087628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOZQYTNELGLJMC-QMMMGPOBSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
1.63
ALogP
3
HBA
1
HBD
49.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Ki 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL1293244 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | Ki | = | 3300.0 | nM | 5.48 | Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as s... | 22921080 |
| Beta-lactamase | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as s... | 22921080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22921080 | 10.1016/j.bmcl.2012.08.012 | Beta-lactamase | 2 |
| 22921080 | 10.1016/j.bmcl.2012.08.012 | Beta-lactamase II | 1 |
Data from ChEMBL 36 via Core Engine