Molecule Details
InChIKeySTECJAGHUSJQJN-FWXGHANASA-N
Canonical SMILESCN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)5
Pfam Stratification Homologous
Avg pChEMBL8.37
SourceChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00747
Drug NameScopolamine
CAS Number51-34-3
Groups approved investigational
ATC Codes N05CM05 S01FA02 A04AD01 A04AD51
DescriptionScopolamine is a tropane alkaloid isolated from members of the _Solanaceae_ family of plants, similar to [atropine] and [hyoscyamine], all of which structurally mimic the natural neurotransmitter [acetylcholine].[A228423, A228763] Scopolamine was first synthesized in 1959, but to date, synthesis rem...

Categories: Adjuvants Adjuvants, Anesthesia Agents producing tachycardia Alimentary Tract and Metabolism Alkaloids Anticholinergic Agents Antiemetics Antiemetics and Antinauseants Antimuscarinics Antispasmodics Autonomic Agents Aza Compounds Azabicyclo Compounds Belladonna Alkaloids Central Nervous System Agents Central Nervous System Depressants Cholinergic Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Gastrointestinal Agents Hypnotics and Sedatives Muscarinic Antagonists Mydriatics Mydriatics and Cycloplegics Nervous System Neurotransmitter Agents Ophthalmologicals Peripheral Nervous System Agents Psycholeptics Scopolamine Derivatives Sensory Organs Solanaceous Alkaloids Tropanes
Cross-references: BindingDB: 50240039 ChEBI: 16794 CHEMBL569713 ChemSpider: 10194106 Drugs Product Database (DPD): 9011 Guide to Pharmacology: 330 IUPHAR: 330 C01851 D00138 PDB: OW0 PharmGKB: PA451308 PubChem:3000322 PubChem:46506966 RxCUI: 9603 Therapeutic Targets Database: DNC000757 Wikipedia: Scopolamine ZINC: ZINC000100037020
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P11229 CHRM1 Homo sapiens Human PF00001 8.5 IC50 ChEMBL
P08172 CHRM2 Homo sapiens Human PF00001 8.5 Ki ChEMBL
P08173 CHRM4 Homo sapiens Human PF00001 8.4 IC50 ChEMBL
P08912 CHRM5 Homo sapiens Human PF00001 8.3 Ki ChEMBL
P20309 CHRM3 Homo sapiens Human PF00001 8.2 Ki ChEMBL
DrugBank Target Actions (11)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P08172 CHRM2 Muscarinic acetylcholine receptor M2 antagonist targets
P08173 CHRM4 Muscarinic acetylcholine receptor M4 antagonist targets
P08912 CHRM5 Muscarinic acetylcholine receptor M5 antagonist targets
P11229 CHRM1 Muscarinic acetylcholine receptor M1 antagonist targets
P20309 CHRM3 Muscarinic acetylcholine receptor M3 antagonist targets
P17787 CHRNB2 Neuronal acetylcholine receptor subunit beta-2 inducer targets
P43681 CHRNA4 Neuronal acetylcholine receptor subunit alpha-4 inducer targets
P14410 SI Sucrase-isomaltase, intestinal inhibitor targets
P17787 CHRNB2 Neuronal acetylcholine receptor subunit beta-2 inhibitor targets
P43681 CHRNA4 Neuronal acetylcholine receptor subunit alpha-4 inhibitor targets