Molecule Details
| InChIKey | RKUNBYITZUJHSG-SPUOUPEWSA-N |
|---|---|
| Canonical SMILES | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.19 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00572 |
|---|---|
| Drug Name | Atropine |
| CAS Number | 51-55-8 |
| Groups | approved investigational vet_approved |
| ATC Codes | S01FA01 A03CB03 V03AB54 A03BA01 |
| Description | Atropine is an alkaloid originally synthesized from Atropa belladonna. It is a racemic mixture of d-and l-hyoscyamine, of which only l-hyoscyamine is pharmacologically active.[A251670,L42835] Atropine is generally available as a sulfate salt and can be administered by intravenous, subcutaneous, intr... |
Categories: Adjuvants, Anesthesia Agents producing tachycardia Agents that produce hypertension Alimentary Tract and Metabolism Alkaloids Anti-Asthmatic Agents Antiarrhythmic agents Anticholinergic Agents Antidotes Antimuscarinics Antispasmodics Autonomic Agents Aza Compounds Azabicyclo Compounds BSEP/ABCB11 Substrates Belladonna Alkaloids Belladonna Alkaloids, Tertiary Amines Belladonna and Derivatives, Plain Bronchodilator Agents Cardiovascular Agents Central Nervous System Agents Cholinergic Agents Drugs for Functional Gastrointestinal Disorders Moderate Risk QTc-Prolonging Agents Muscarinic Antagonists Mydriatics Mydriatics and Cycloplegics Neurotransmitter Agents Ophthalmologicals Parasympatholytics Peripheral Nervous System Agents QTc Prolonging Agents Respiratory System Agents Sensory Organs Solanaceous Alkaloids Tropanes
Cross-references: BindingDB: 50403547 ChEBI: 78734 CHEMBL517712 ChemSpider: 10194105 Drugs Product Database (DPD): 8970 Guide to Pharmacology: 320 IUPHAR: 320 C01479 D00113 PDB: OIN PharmGKB: PA448505 PubChem:174174 PubChem:46507540 RxCUI: 1223 Therapeutic Targets Database: DAP000377 Wikipedia: Atropine
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| 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 |
| P23415 | GLRA1 | Glycine receptor subunit alpha-1 | antagonist | targets |
| P17787 | CHRNB2 | Neuronal acetylcholine receptor subunit beta-2 | substrate | targets |
| P43681 | CHRNA4 | Neuronal acetylcholine receptor subunit alpha-4 | substrate | targets |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |