Compound Detail
CHEMBL4636953
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Basic Information
| ChEMBL ID | CHEMBL4636953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUNQEXJRZWMEMG-QMMMGPOBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.3 | 7.215 | 0.5 | 2 |
| Class A carbapenemase KPC-2 CHEMBL5437 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.5 | nM | 9.3 | Inhibition of recombinant Escherichia coli OXA-48 using nitrocefin as substrate ... | 32150407 |
| Class A carbapenemase KPC-2 | Ki | = | 21.0 | nM | 7.68 | Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate p... | 32150407 |
| Unchecked | Ki | = | 7400.0 | nM | 5.13 | Inhibition of recombinant Escherichia coli NDM-1 using imipenem as substrate pre... | 32150407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32150407 | 10.1021/acs.jmedchem.9b01976 | Unchecked | 4 |
| 32150407 | 10.1021/acs.jmedchem.9b01976 | Class A carbapenemase KPC-2 | 1 |
| 32150407 | 10.1021/acs.jmedchem.9b01976 | Beta-lactamase | 1 |
Data from ChEMBL 36 via Core Engine