Compound Detail
CHEMBL75967
PENTACHLOROPHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL75967 |
| Name | PENTACHLOROPHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZUPBVBPLAPZRR-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
4.66
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.18
Ki 2 meas. best 4.3
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.18 | 5.15 | 657.0 | 2 |
| ATP phosphoribosyltransferase CHEMBL6086 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 657.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | Ki | = | 50000.0 | nM | 4.3 | Inhibition of Escherichia coli HisG | 18778048 |
| ATP phosphoribosyltransferase | Ki | = | 50000.0 | nM | 4.3 | Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP pro... | 18778048 |
| Unchecked | EC50 | = | 75348.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 6802973 | 10.1021/jm00345a016 | No relevant target | 3 |
| 6802973 | 10.1021/jm00345a016 | Bacillus subtilis | 2 |
| 11473426 | 10.1021/np000593r | Pseudomonas fluorescens | 2 |
| 11473426 | 10.1021/np000593r | Escherichia coli | 2 |
| 11473426 | 10.1021/np000593r | Staphylococcus aureus | 2 |
| 11473426 | 10.1021/np000593r | Bacillus subtilis | 2 |
| 18412324 | 10.1021/jm701561e | No relevant target | 1 |
| 18778048 | 10.1021/jm800328v | Unchecked | 1 |
| 18778048 | 10.1021/jm800328v | ATP phosphoribosyltransferase | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 24360560 | 10.1016/j.bmcl.2013.12.015 | Enterococcus faecalis | 1 |
| 24360560 | 10.1016/j.bmcl.2013.12.015 | Escherichia coli | 1 |
| 24360560 | 10.1016/j.bmcl.2013.12.015 | Streptococcus mutans | 1 |
| 24360560 | 10.1016/j.bmcl.2013.12.015 | Staphylococcus aureus | 1 |
| 24360560 | 10.1016/j.bmcl.2013.12.015 | Limosilactobacillus reuteri | 1 |
| 24360560 | 10.1016/j.bmcl.2013.12.015 | Lacticaseibacillus casei | 1 |
Data from ChEMBL 36 via Core Engine