Compound Detail
CHEMBL5279638
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Basic Information
| ChEMBL ID | CHEMBL5279638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBYUIAQCECXDHN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
1.23
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 115.0 | nM | 6.94 | Inhibition of Mycobacterium tuberculosis Zmp1 | 34779640 |
| Metallo-beta-lactamase type 2 | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of C-terminal 6His-tagged full length NDM-1 (unknown origin) expresse... | 37585683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34779640 | 10.1021/acs.jmedchem.1c01318 | Unchecked | 1 |
| 37585683 | 10.1021/acs.jmedchem.3c00171 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine