Compound Detail
CHEMBL5173546
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Basic Information
| ChEMBL ID | CHEMBL5173546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHQBVWDKYSIDCV-XCVCLJGOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.33
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4100.0 | nM | 5.39 | Inhibition of NMD1 (unknown origin) using imipenem as substrate by spectrophotom... | 35841882 |
| Metallo-beta-lactamase type 2 | Ki | = | 4100.0 | nM | 5.39 | Inhibition of bacterial NDM-1 | 38109811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35841882 | 10.1016/j.ejmech.2022.114599 | Unchecked | 4 |
| 35101652 | 10.1016/j.ejmech.2022.114139 | Unchecked | 3 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine