Molecule Details
| InChIKey | OYYDSUSKLWTMMQ-JKHIJQBDSA-N |
|---|---|
| Canonical SMILES | O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00209 |
|---|---|
| Drug Name | Trospium |
| CAS Number | 47608-32-2 |
| Groups | approved investigational |
| ATC Codes | A03DA06 G04BD09 |
| Description | Trospium is an antispasmodic agent used to treat the symptoms of overactive bladder, a condition that causes the bladder muscles to contract uncontrollably.[L6208] An overactive bladder leads to an increased urge to urinate, frequent urination, and sometimes, loss of control over urination.[L6208] T... |
Categories: Acids, Carbocyclic Agents producing tachycardia Alimentary Tract and Metabolism Anticholinergic Agents Autonomic Agents Aza Compounds Azabicyclo Compounds Cholinergic Agents Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Diphenylacetic Acids Drugs for Functional Gastrointestinal Disorders Drugs for Urinary Frequency and Incontinence Genito Urinary System and Sex Hormones Genitourinary Agents Hydroxy Acids Muscarinic Antagonists Neurotransmitter Agents Parasympatholytics Peripheral Nervous System Agents Phenylacetates Tropanes Urological Agents Urologicals
Cross-references: BindingDB: 50540489 ChEBI: 145791 CHEMBL1888176 ChemSpider: 10482307 Drugs Product Database (DPD): 17368 D01103 PharmGKB: PA164748976 PubChem:5284632 PubChem:46506398 RxCUI: 236778 Therapeutic Targets Database: DAP000342 Wikipedia: Trospium_chloride ZINC: ZINC000100016084
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |