Molecule Details
| InChIKey | OGAKLTJNUQRZJU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Diphenidol |
| Canonical SMILES | OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.44 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01231 |
|---|---|
| Drug Name | Diphenidol |
| CAS Number | 972-02-1 |
| Groups | approved withdrawn |
| ATC Codes | nan |
| Description | Diphenidol is an antiemetic agent used in the treatment of vomiting and vertigo. Diphenidol overdose may result in serious toxicity in children. |
Categories: Agents producing tachycardia Anticholinergic Agents Antiemetics Autonomic Agents Central Nervous System Agents Emesis Suppression Gastrointestinal Agents Muscarinic Antagonists Peripheral Nervous System Agents
Cross-references: BindingDB: 50225701 ChEBI: 4638 CHEMBL936 ChemSpider: 2947 C06961 D03858 PharmGKB: PA164746037 PubChem:3055 PubChem:46506486 RxCUI: 23370 Therapeutic Targets Database: DAP001133 Wikipedia: Diphenidol ZINC: ZINC000000968266
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.9 | IC50 | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.8 | IC50 | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08172 | CHRM2 | Muscarinic acetylcholine receptor M2 | antagonist | targets |
| P08173 | CHRM4 | Muscarinic acetylcholine receptor M4 | antagonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | antagonist | targets |
| P20309 | CHRM3 | Muscarinic acetylcholine receptor M3 | antagonist | targets |