Molecule Details
| InChIKey | STECJAGHUSJQJN-FWXGHANASA-N |
|---|---|
| Canonical SMILES | CN1[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 pChEMBL | 8.37 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00747 |
|---|---|
| Drug Name | Scopolamine |
| CAS Number | 51-34-3 |
| Groups | approved investigational |
| ATC Codes | N05CM05 S01FA02 A04AD01 A04AD51 |
| Description | Scopolamine 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 |