Compound Detail
CHEMBL3809419
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Basic Information
| ChEMBL ID | CHEMBL3809419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYIGFZOHYGYBLX-SSDOTTSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
1.74
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL1744488 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 | Ki | = | 90.0 | nM | 7.05 | Competitive inhibition of Bacillus cereus 569/H/9 metallo-beta-lactamase Bc2 exp... | 27096051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27096051 | 10.1021/acsmedchemlett.5b00495 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine