Molecule Details
| InChIKey | WYMSBXTXOHUIGT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Paraoxon |
| Canonical SMILES | CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.42 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13495 |
|---|---|
| Drug Name | Paraoxon |
| CAS Number | 311-45-5 |
| Groups | experimental |
| ATC Codes | S01EB10 |
| Description | nan |
Categories: Agrochemicals Antiglaucoma Preparations and Miotics Cholinergic Agents Cholinesterase Inhibitors Compounds used in a research, industrial, or household setting Enzyme Inhibitors Insecticides Neurotransmitter Agents Ophthalmologicals Organophosphates Organophosphorus Compounds Parasympathomimetics Pesticides Sensory Organs Toxic Actions
Cross-references: BindingDB: 50240416 ChEBI: 27827 CHEMBL23838 ChemSpider: 9026 C06606 Wikipedia: Paraoxon ZINC: ZINC000001530487
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06276 | BCHE | Homo sapiens | Human | PF08674 PF00135 | 8.2 | IC50 | ChEMBL;BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 8.0 | IC50 | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.2 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.5 | IC50 | ChEMBL;BindingDB |