Compound Detail
CHEMBL4291342
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Basic Information
| ChEMBL ID | CHEMBL4291342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJMKEQPXWSLCCD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.13
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.75
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | EC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | EC50 | = | 46000.0 | nM | 4.34 | Antibacterial activity against Staphylococcus aureus ATCC 25923 after 6 to 8 hrs... | 30392371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30392371 | 10.1021/acs.jmedchem.8b01293 | GroEL/GroES | 2 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | Unchecked | 2 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | Staphylococcus aureus | 2 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | Thiosulfate sulfurtransferase | 1 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | Enterococcus faecium | 1 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | Klebsiella pneumoniae | 1 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | Acinetobacter baumannii | 1 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | Pseudomonas aeruginosa | 1 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | Enterobacter cloacae | 1 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | HSP60/HSP10 | 1 |
| 30392371 | 10.1021/acs.jmedchem.8b01293 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine