Compound Detail
CHEMBL5558940
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Basic Information
| ChEMBL ID | CHEMBL5558940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTXPHBZPNOGTNT-YIZRAAEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
1.51
ALogP
9
HBA
2
HBD
68.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of his6-tagged NDM-1 (unknown origin) expressed in Escherichia coli B... | 38373290 |
| Unchecked | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of his6-tagged L1 (unknown origin) expressed in Escherichia coli BL21... | 38373290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38373290 | 10.1021/acs.jmedchem.3c02209 | Unchecked | 4 |
| 38373290 | 10.1021/acs.jmedchem.3c02209 | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine