Compound Detail
CHEMBL5413366
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Basic Information
| ChEMBL ID | CHEMBL5413366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZTZYHDXTIOQHM-ZLUOBGJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
-3.82
ALogP
8
HBA
8
HBD
202.4
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 | Ki | = | 11.0 | nM | 7.96 | Inhibition of bacterial NDM-1 | 38109811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine