Compound Detail
CHEMBL5193259
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Basic Information
| ChEMBL ID | CHEMBL5193259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIXJXAMOOQMDHC-GOSISDBHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.87
ALogP
4
HBA
1
HBD
62.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 6.0 | 5.02 | 1000.0 | 2 |
| Escherichia coli CHEMBL354 | IC50 | 4.12 | 4.12 | 75200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pseudomonas aeruginosa | IC50 | = | 1000.0 | nM | 6.0 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 75200.0 | nM | 4.12 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Pseudomonas aeruginosa | IC50 | = | 92100.0 | nM | 4.04 | Antibacterial activity against efflux pump lacking Pseudomonas aeruginosa assess... | 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 |
| 36257060 | 10.1021/acs.jmedchem.2c01349 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine