Compound Detail
CHEMBL4878642
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Basic Information
| ChEMBL ID | CHEMBL4878642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCFNGTCACKRAJU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
1.05
ALogP
6
HBA
4
HBD
161.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.78 | 5.5967 | 1650.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 1650.0 | nM | 5.78 | Zinc chelation-dependent inhibition of NDM-1 (unknown origin) expressed in Esche... | 34303873 |
| No relevant target | IC50 | = | 2030.0 | nM | 5.69 | Zinc chelation-dependent inhibition of VIM-2 (unknown origin) expressed in Esche... | 34303873 |
| No relevant target | IC50 | = | 4840.0 | nM | 5.32 | Zinc chelation-dependent inhibition of IMP-4 (unknown origin) expressed in Esche... | 34303873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34303873 | 10.1016/j.ejmech.2021.113702 | Escherichia coli | 9 |
| 34303873 | 10.1016/j.ejmech.2021.113702 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine