Compound Detail
CHEMBL1170425
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Basic Information
| ChEMBL ID | CHEMBL1170425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDAVYJKCJHOMSD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
0.92
ALogP
2
HBA
3
HBD
57.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.6 | 5.245 | 2500.0 | 2 |
| Beta-lactamase L1 CHEMBL3326 | Ki | 5.4 | 4.9 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2500.0 | nM | 5.6 | Inhibition of VIM4 in absence of Zn+ chelator | 20527888 |
| Beta-lactamase L1 | Ki | = | 4000.0 | nM | 5.4 | Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ ... | 20527888 |
| Unchecked | Ki | = | 13000.0 | nM | 4.89 | Inhibition of VIM4 in presence of Zn+ chelator | 20527888 |
| Beta-lactamase L1 | Ki | = | 40000.0 | nM | 4.4 | Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ c... | 20527888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20527888 | 10.1021/jm100213c | Unchecked | 2 |
| 20527888 | 10.1021/jm100213c | Beta-lactamase L1 | 2 |
| 20527888 | 10.1021/jm100213c | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine