Molecule Details
| InChIKey | OOGJQPCLVADCPB-HXUWFJFHSA-N |
|---|---|
| Compound Name | Tolterodine |
| Canonical SMILES | Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.84 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01036 |
|---|---|
| Drug Name | Tolterodine |
| CAS Number | 124937-51-5 |
| Groups | approved investigational |
| ATC Codes | G04BD07 |
| Description | Tolterodine is an antimuscarinic drug that is used to treat urinary incontinence. Tolterodine acts on M2 and M3 subtypes of muscarinic receptors. |
Categories: Agents producing tachycardia Alcohols Amines Amino Alcohols Anticholinergic Agents Benzene Derivatives Benzhydryl Compounds Cholinergic Agents Cresols Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Drugs for Urinary Frequency and Incontinence Drugs that are Mainly Renally Excreted Genito Urinary System and Sex Hormones Genitourinary Agents Genitourinary Smooth Muscle Relaxants Muscarinic Antagonists Neurotransmitter Agents Phenols Potential QTc-Prolonging Agents Propanolamines Propanols QTc Prolonging Agents Urological Agents Urologicals
Cross-references: BindingDB: 50165008 ChEBI: 9622 CHEMBL1382 ChemSpider: 391967 Drugs Product Database (DPD): 20821 C07750 D00646 PharmGKB: PA164746757 PubChem:443879 PubChem:46508059 RxCUI: 119565 Therapeutic Targets Database: DAP000376 Wikipedia: Tolterodine ZINC: ZINC000000968336
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 7.3 | IC50 | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.8 | Ki | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.7 | Ki | ChEMBL |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | 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 |