Compound Detail
CHEMBL5188069
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Basic Information
| ChEMBL ID | CHEMBL5188069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGYUZFYNMTZCAG-GOEBONIOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
2.01
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 5.6733 | 200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Inhibition of bacterial NDM-1 using CDC-1 as substrate incubated for 30 mins | 35152091 |
| Unchecked | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of bacterial VIM-27 using CDC-1 as substrate incubated for 30 mins | 35152091 |
| Unchecked | IC50 | = | 8400.0 | nM | 5.08 | 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