Compound Detail
CHEMBL5198504
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Basic Information
| ChEMBL ID | CHEMBL5198504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFOMWCJSLRGJGH-CYBMUJFWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
0.52
ALogP
4
HBA
2
HBD
82.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.41 | 4.3 | 39000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 39000.0 | nM | 4.41 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 64300.0 | nM | 4.19 | Antibacterial activity against efflux pump lacking Escherichia coli assessed as ... | 36257060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Acinetobacter baumannii | 4 |
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Escherichia coli | 4 |
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Pseudomonas aeruginosa | 4 |
Data from ChEMBL 36 via Core Engine