Compound Detail
CHEMBL5173025
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Basic Information
| ChEMBL ID | CHEMBL5173025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOVCKUQRRQQZST-GFCCVEGCSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
2.60
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.64 | 4.292 | 23000.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 23000.0 | nM | 4.64 | Antibacterial activity against wild type Escherichia coli assessed as reduction ... | 38134355 |
| Escherichia coli | IC50 | = | 39700.0 | nM | 4.4 | Antibacterial activity against efflux pump lacking/recombinant OM pore producing... | 36257060 |
| Escherichia coli | IC50 | = | 61500.0 | nM | 4.21 | Antibacterial activity against recombinant OM pore producing Escherichia coli as... | 36257060 |
| Escherichia coli | IC50 | = | 64600.0 | nM | 4.19 | Antibacterial activity against efflux pump lacking Escherichia coli assessed as ... | 36257060 |
| Escherichia coli | IC50 | = | 96000.0 | nM | 4.02 | Antibacterial activity against wild type Escherichia coli assessed as inhibition... | 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 |
| 38134355 | 10.1021/acs.jmedchem.3c01831 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine