Compound Detail
CHEMBL5206466
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Basic Information
| ChEMBL ID | CHEMBL5206466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUDZCJHHEZKWOC-GFCCVEGCSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
3.10
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.9 | 4.76 | 12500.0 | 3 |
| Acinetobacter baumannii CHEMBL614425 | IC50 | 4.42 | 4.365 | 38500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 12500.0 | nM | 4.9 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 19300.0 | nM | 4.71 | Antibacterial activity against efflux pump lacking Escherichia coli assessed as ... | 36257060 |
| Escherichia coli | IC50 | = | 21200.0 | nM | 4.67 | Antibacterial activity against recombinant OM pore producing Escherichia coli as... | 36257060 |
| Acinetobacter baumannii | IC50 | = | 38500.0 | nM | 4.42 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Acinetobacter baumannii | IC50 | = | 48800.0 | 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 |
Data from ChEMBL 36 via Core Engine