Molecule Details
| InChIKey | ALWKGYPQUAPLQC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Neostigmine |
| Canonical SMILES | CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01400 |
|---|---|
| Drug Name | Neostigmine |
| CAS Number | 59-99-4 |
| Groups | approved investigational vet_approved |
| ATC Codes | N07AA01 S01EB06 N07AA51 |
| Description | A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike physostigmine, does not cross the blood-brain barrier. |
Categories: Amines Antiglaucoma Preparations and Miotics Autonomic Agents Cholinergic Agents Cholinesterase Inhibitors Enzyme Inhibitors Nervous System Neurotransmitter Agents Onium Compounds Ophthalmologicals Parasympathomemetic (Cholinergic) Agents Parasympathomimetics Peripheral Nervous System Agents Phenylammonium Compounds Quaternary Ammonium Compounds Sensory Organs
Cross-references: BindingDB: 50022775 ChEBI: 7514 CHEMBL278020 ChemSpider: 4301 Drugs Product Database (DPD): 10010 C07258 D08261 PharmGKB: PA450611 PubChem:4456 PubChem:46509161 RxCUI: 7315 Therapeutic Targets Database: DAP000563 Wikipedia: Neostigmine ZINC: ZINC000000001792