Compound Detail
CHEMBL5185452
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Basic Information
| ChEMBL ID | CHEMBL5185452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQZNYUZLLZUXCY-GXSJLCMTSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
0.84
ALogP
7
HBA
1
HBD
92.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.2 | 5.4433 | 630.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 630.0 | nM | 6.2 | Inhibition of bacterial NDM-1 using CDC-1 as substrate incubated for 30 mins | 35152091 |
| Unchecked | IC50 | = | 8600.0 | nM | 5.07 | Inhibition of bacterial VIM-27 using CDC-1 as substrate incubated for 30 mins | 35152091 |
| Unchecked | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of bacterial IMP-1 using CDC-1 as substrate incubated for 30 mins | 35152091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35152091 | 10.1016/j.ejmech.2022.114174 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine