Compound Detail
CHEMBL458019
PARAQUAT DICHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL458019 |
| Name | PARAQUAT DICHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIKAKWIAUPDISJ-UHFFFAOYSA-L |
| Parent Compound | CHEMBL74469 |
| Active Moiety | CHEMBL74469 |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
1.00
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
EC50 1 meas. best 4.47
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 480.0 | nM | 6.32 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 560.0 | nM | 6.25 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | EC50 | = | 34180.0 | nM | 4.47 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19770280 | 10.1128/aac.00748-09 | Escherichia coli | 5 |
| 19770280 | 10.1128/aac.00748-09 | Acinetobacter baumannii | 4 |
| 18591276 | 10.1128/aac.00475-08 | Escherichia coli | 3 |
| 23303337 | 10.3390/molecules18010778 | Lolium multiflorum | 3 |
| 23303337 | 10.3390/molecules18010778 | Triticum aestivum | 3 |
| 23303337 | 10.3390/molecules18010778 | Trifolium alexandrinum | 3 |
| 23303337 | 10.3390/molecules18010778 | Physalis ixocarpa | 3 |
Data from ChEMBL 36 via Core Engine