Compound Detail
CHEMBL5417591
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Basic Information
| ChEMBL ID | CHEMBL5417591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBRVECRAOOLMLO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.6
MW (Da)
3.66
ALogP
5
HBA
0
HBD
6.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.49 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of NDM1 (unknown origin) | 35988449 |
| Unchecked | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of IMP1 (unknown origin) | 35988449 |
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of Imis (unknown origin) | 35988449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35988449 | 10.1016/j.ejmech.2022.114677 | Unchecked | 2 |
| 35988449 | 10.1016/j.ejmech.2022.114677 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine