Molecule Details
| InChIKey | ZCVMWBYGMWKGHF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ketotifen |
| Canonical SMILES | CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 19 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.79 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00920 |
|---|---|
| Drug Name | Ketotifen |
| CAS Number | 34580-13-7 |
| Groups | approved investigational |
| ATC Codes | S01GX08 R06AX17 |
| Description | Ketotifen is a benzocycloheptathiophene derivative[A231204] with potent antihistaminic and mast cell stabilizing properties. It has a similar structure to some other first-generation antihistamines such as [cyproheptadine] and [azatadine].[A231204] Ketotifen was first developed in Switzerland in 197... |
Categories: Anti-Allergic Agents Anti-Asthmatic Agents Antihistamine Drugs Antihistamines for Systemic Use Antipruritics Decongestants and Antiallergics Histamine Agents Histamine Antagonists Histamine H1 Antagonists Histamine H1 Inhibitors Ophthalmologicals Other Antihistamines Piperidines Sensory Organs Sulfur Compounds Thiophenes UGT1A3 substrates UGT1A4 substrates
Cross-references: BindingDB: 94597 ChEBI: 92511 CHEMBL534 ChemSpider: 3695 Drugs Product Database (DPD): 11175 D01332 PharmGKB: PA450152 PubChem:3827 PubChem:46508921 RxCUI: 6146 Therapeutic Targets Database: DAP000329 Wikipedia: Ketotifen ZINC: ZINC000000004351
Target Activities (19)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 9.9 | pIC50 | TTD_MultiTarget |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 9.0 | IC50 | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 6.5 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.4 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P00390 | GSR | Homo sapiens | Human | PF07992 PF02852 | 6.1 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P22310 | P22310 | UDP-glucuronosyltransferase 1A4 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| P36537 | P36537 | UDP-glucuronosyltransferase 2B10 | substrate | enzymes |
| P35367 | HRH1 | Histamine H1 receptor | antagonist | targets |
| P52209 | PGD | 6-phosphogluconate dehydrogenase, decarboxylating | inhibitor | targets |