Compound Detail
CHEMBL5195057
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Basic Information
| ChEMBL ID | CHEMBL5195057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHBJJORNWQLZDB-UNTBIKODSA-M |
| Parent Compound | CHEMBL5222290 |
| Active Moiety | CHEMBL5222290 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.79
ALogP
3
HBA
1
HBD
53.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 5.25 | 4.9833 | 5600.0 | 3 |
| Acinetobacter baumannii CHEMBL614425 | IC50 | 5.03 | 4.6333 | 9400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 5600.0 | nM | 5.25 | Antibacterial activity against efflux pump lacking Escherichia coli assessed as ... | 36257060 |
| Acinetobacter baumannii | IC50 | = | 9400.0 | nM | 5.03 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 9600.0 | nM | 5.02 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 21000.0 | nM | 4.68 | Antibacterial activity against recombinant OM pore producing Escherichia coli as... | 36257060 |
| Acinetobacter baumannii | IC50 | = | 27400.0 | nM | 4.56 | Antibacterial activity against recombinant OM pore producing Acinetobacter bauma... | 36257060 |
| Acinetobacter baumannii | IC50 | = | 48600.0 | nM | 4.31 | Antibacterial activity against efflux pump lacking Acinetobacter baumannii asses... | 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 | 1 |
Data from ChEMBL 36 via Core Engine