Compound Detail
CHEMBL5173883
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Basic Information
| ChEMBL ID | CHEMBL5173883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSGDZNPUUMDDMW-SNVBAGLBSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
1.18
ALogP
6
HBA
2
HBD
101.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 5.82 | 5.5833 | 1500.0 | 3 |
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Acinetobacter baumannii CHEMBL614425 | IC50 | 4.28 | 4.28 | 53000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 1500.0 | nM | 5.82 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 2000.0 | nM | 5.7 | Antibacterial activity against recombinant OM pore producing Escherichia coli as... | 36257060 |
| Escherichia coli | IC50 | = | 5900.0 | nM | 5.23 | Antibacterial activity against efflux pump lacking Escherichia coli assessed as ... | 36257060 |
| Pseudomonas aeruginosa | IC50 | = | 33000.0 | nM | 4.48 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Acinetobacter baumannii | IC50 | = | 53000.0 | nM | 4.28 | Antibacterial activity against efflux pump lacking Acinetobacter baumannii asses... | 36257060 |
| Acinetobacter baumannii | IC50 | = | 53000.0 | nM | 4.28 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Escherichia coli | 9 |
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Acinetobacter baumannii | 5 |
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Pseudomonas aeruginosa | 5 |
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Staphylococcus aureus | 1 |
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine