Compound Detail
CHEMBL5181242
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Basic Information
| ChEMBL ID | CHEMBL5181242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHUZXRXEGFRFOF-UTONKHPSSA-M |
| Parent Compound | CHEMBL5221679 |
| Active Moiety | CHEMBL5221679 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
1.63
ALogP
3
HBA
1
HBD
53.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acinetobacter baumannii CHEMBL614425 | IC50 | 4.48 | 4.48 | 33300.0 | 1 |
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 4.39 | 4.39 | 40400.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 4.22 | 4.18 | 60400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acinetobacter baumannii | IC50 | = | 33300.0 | nM | 4.48 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Pseudomonas aeruginosa | IC50 | = | 40400.0 | nM | 4.39 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 60400.0 | nM | 4.22 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 72300.0 | nM | 4.14 | 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