Molecule Details
| InChIKey | XIQVNETUBQGFHX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Oxybutynin |
| Canonical SMILES | CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01062 |
|---|---|
| Drug Name | Oxybutynin |
| CAS Number | 5633-20-5 |
| Groups | approved investigational |
| ATC Codes | G04BD04 |
| Description | Overactive bladder (OAB) is a common condition negatively impacting the lives of millions of patients worldwide. Due to its urinary symptoms that include nocturia, urgency, and frequency, this condition causes social embarrassment and a poor quality of life.[A185996,A185999] Oxybutynin, also markete... |
Categories: Acids, Carbocyclic Agents producing tachycardia Anticholinergic Agents Autonomic Agents Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates 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 Urological Agents Urologicals
Cross-references: BindingDB: 50165019 ChEBI: 144551 CHEMBL1231 ChemSpider: 4473 Drugs Product Database (DPD): 10040 Guide to Pharmacology: 359 IUPHAR: 359 C07360 D00465 PharmGKB: PA164746030 PubChem:4634 PubChem:46508005 RxCUI: 32675 Therapeutic Targets Database: DAP001128 Wikipedia: Oxybutynin
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.8 | IC50 | ChEMBL |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.1 | IC50 | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P08172 | CHRM2 | Muscarinic acetylcholine receptor M2 | antagonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | antagonist | targets |
| P20309 | CHRM3 | Muscarinic acetylcholine receptor M3 | antagonist | targets |