Molecule Details
InChIKeyPIJVFDBKTWXHHD-HIFRSBDPSA-N
Compound NamePhysostigmine
Canonical SMILESCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.19
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00981
Drug NamePhysostigmine
CAS Number57-47-6
Groups approved
ATC Codes S01EB05 V03AB19
DescriptionA cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.

Categories: Acids, Acyclic Alkaloids Antidotes Antiglaucoma Preparations and Miotics Autonomic Agents Carbamates Cholinergic Agents Cholinesterase Inhibitors Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Indolizidines Indolizines Miotics Neurotransmitter Agents Ophthalmologicals Parasympathomimetics Peripheral Nervous System Agents Phenylcarbamates Sensory Organs
Cross-references: BindingDB: 50222010 ChEBI: 27953 CHEMBL94 ChemSpider: 5763 Drugs Product Database (DPD): 10016 C06535 D00196 PharmGKB: PA450957 PubChem:5983 PubChem:46506998 RxCUI: 8299 Therapeutic Targets Database: DAP000561 Wikipedia: Physostigmine ZINC: ZINC000091689892
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P06276 BCHE Homo sapiens Human PF08674 PF00135 7.5 IC50 ChEMBL;BindingDB
P22303 ACHE Homo sapiens Human PF08674 PF00135 7.4 IC50 ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.7 IC50 ChEMBL
DrugBank Target Actions (3)
Target Gene Target Name Action Type
P17787 CHRNB2 Neuronal acetylcholine receptor subunit beta-2 antagonist targets
P43681 CHRNA4 Neuronal acetylcholine receptor subunit alpha-4 antagonist targets
P22303 ACHE Acetylcholinesterase inhibitor targets