Compound Detail
CHEMBL4783567
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Basic Information
| ChEMBL ID | CHEMBL4783567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKZLYFZVEXSQQG-ZVHZXABRSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.77
ALogP
6
HBA
2
HBD
92.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.4 | 6.0 | 400.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 400.0 | nM | 6.4 | Inhibition of beta-lactamase L1 (unknown origin) expressed in Escherichia coli B... | 32937203 |
| Unchecked | Ki | = | 900.0 | nM | 6.05 | Inhibition of beta-lactamase VIM2 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Inhibition of beta-lactamase VIM4 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 2800.0 | nM | 5.55 | Inhibition of beta-lactamase NDM1 (unknown origin) expressed in Escherichia coli... | 32937203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32937203 | 10.1016/j.ejmech.2020.112720 | Unchecked | 7 |
Data from ChEMBL 36 via Core Engine