Compound Detail
CHEMBL2104722
PICLOXYDINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2104722 |
| Name | PICLOXYDINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YNCLPFSAZFGQCD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
2
Known Names
1
Indications
Molecular Properties
475.4
MW (Da)
3.05
ALogP
4
HBA
8
HBD
150.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Eye Infections
ATC Classification
S01AX16
picloxydine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
Ki 4 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | Ki | 6.21 | 5.62 | 620.0 | 2 |
| Acetylcholinesterase CHEMBL4078 | Ki | 4.66 | 4.605 | 22000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 620.0 | nM | 6.21 | Competitive inhibition of equine serum butyrylcholinesterase in presence of vary... | 27689726 |
| Cholinesterase | Ki | = | 9370.0 | nM | 5.03 | Non-competitive inhibition of equine serum butyrylcholinesterase in presence of ... | 27689726 |
| Acetylcholinesterase | Ki | = | 22000.0 | nM | 4.66 | Competitive inhibition of Electrophorus electricus acetylcholinesterase in prese... | 27689726 |
| Acetylcholinesterase | Ki | = | 28310.0 | nM | 4.55 | Non-competitive inhibition of Electrophorus electricus acetylcholinesterase in p... | 27689726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27689726 | 10.1016/j.ejmech.2016.09.051 | Acetylcholinesterase | 2 |
| 27689726 | 10.1016/j.ejmech.2016.09.051 | Cholinesterase | 2 |
| 34364161 | 10.1016/j.ejmech.2021.113726 | Streptococcus pyogenes | 1 |
| 34364161 | 10.1016/j.ejmech.2021.113726 | Streptococcus | 1 |
| 34364161 | 10.1016/j.ejmech.2021.113726 | Clostridium septicum | 1 |
Data from ChEMBL 36 via Core Engine