Compound Detail
CHEMBL1231
OXYBUTYNIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1231 |
| Name | OXYBUTYNIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XIQVNETUBQGFHX-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
18
Targets
49
Activities
3
Assay Types
6
PK Parameters
20
Publications
13
Known Names
14
Indications
2
Mechanisms
Molecular Properties
357.5
MW (Da)
3.34
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1975 |
| Availability | OTC |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 antagonist | ANTAGONIST | Muscarinic acetylcholine receptor M3 | ✓ | ✓ |
| Muscarinic acetylcholine receptor M2 antagonist | ANTAGONIST | Muscarinic acetylcholine receptor M2 | ✓ | ✓ |
Indications
Polyuria Urinary Bladder, Overactive Urinary Incontinence Urinary Incontinence, Urge Breast Neoplasms Enuresis Hyperhidrosis Polyneuropathies Urinary Bladder, Neurogenic Paget Disease, Extramammary Rhinitis, Allergic, Seasonal Sialorrhea Sleep Apnea Syndromes Sleep Apnea, Obstructive
ATC Classification
G04BD04
oxybutynin
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: UROLOGICALS
Activity Summary
Ki 29 meas. best 9.56
IC50 18 meas. best 8.7
Kd 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 9.56 | 9.0 | 0.3 | 2 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.24 | 9.015 | 0.6 | 4 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.07 | 8.8967 | 0.8 | 3 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 9.02 | 8.65 | 0.9 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.7 | 6.605 | 2.0 | 4 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.63 | 8.24 | 2.3 | 2 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 8.45 | 8.45 | 3.5 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 8.23 | 8.23 | 5.9 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 8.16 | 8.005 | 7.0 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.09 | 7.96 | 8.1 | 4 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.99 | 7.99 | 10.2 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.62 | 7.62 | 24.2 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 7.4 | 7.4 | 39.8 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.17 | 7.17 | 67.9 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 7.1 | 7.1 | 79.4 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 7.07 | 7.07 | 85.5 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.84 | 6.84 | 145.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.37 | 6.37 | 428.8 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.3 | 6.3 | 504.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.1 | 6.1 | 792.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.95 | 5.82 | 1135.5 | 3 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.59 | 5.59 | 2573.7 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.59 | 5.59 | 2595.1 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2366456 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.56 | 4.56 | 27400.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 13.94 | ng.hr.mL-1 | Homo sapiens |
| CL | 5.1 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 22.0 | nM | Homo sapiens |
| Fu | 0.0034 | - | Homo sapiens |
| MRT | 2.7 | hr | Homo sapiens |
| T1/2 | 7.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine