Compound Detail
CHEMBL4294873
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Basic Information
| ChEMBL ID | CHEMBL4294873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIFLOVCLRMLWFW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
292.1
MW (Da)
3.41
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | EC50 | 5.55 | 5.47 | 2800.0 | 2 |
| Klebsiella pneumoniae CHEMBL350 | EC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | EC50 | = | 2800.0 | nM | 5.55 | Antibacterial activity against Staphylococcus aureus ATCC 25923 after 6 to 8 hrs... | 30392371 |
| Staphylococcus aureus | EC50 | = | 4100.0 | nM | 5.39 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 30392371 |
| Klebsiella pneumoniae | EC50 | = | 78000.0 | nM | 4.11 | Antibacterial activity against Klebsiella pneumoniae ATCC 13883 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