Compound Detail
CHEMBL5290744
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Basic Information
| ChEMBL ID | CHEMBL5290744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVHGWHXZSFZDSD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.8
MW (Da)
0.53
ALogP
12
HBA
0
HBD
56.4
PSA (Ų)
0.38
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.66 | 6.3167 | 220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | Inhibition of Metallo-beta-lactamase NDM-1 (unknown origin) expressed in Escheri... | 32707526 |
| Unchecked | IC50 | = | 570.0 | nM | 6.24 | Inhibition of metallo-beta-lactamase IMP-1 (unknown origin) expressed in Escheri... | 32707526 |
| Unchecked | IC50 | = | 900.0 | nM | 6.05 | Inhibition of metallo-beta-lactamase ImiS (unknown origin) expressed in Escheric... | 32707526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32707526 | 10.1016/j.ejmech.2020.112573 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine