Molecule Details
| InChIKey | HNJJXZKZRAWDPF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Methapyrilene |
| Canonical SMILES | CN(C)CCN(Cc1cccs1)c1ccccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.66 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04819 |
|---|---|
| Drug Name | Methapyrilene |
| CAS Number | 91-80-5 |
| Groups | approved withdrawn |
| ATC Codes | R06AC05 |
| Description | Methapyrilene, formerly marketed in many drug products, was shown to be a potent carcinogen. Manufacturers voluntarily withdrew methapyriline drug products from the market in May and June 1979. |
Categories: Amines Aminopyridines Anti-Allergic Agents Antihistamines for Systemic Use Central Nervous System Agents Central Nervous System Depressants Diamines Ethylenediamines Histamine Agents Histamine Antagonists Histamine H1 Antagonists Hypnotics and Sedatives Neurotransmitter Agents Polyamines Pyridines Substituted Ethylene Diamines
Cross-references: BindingDB: 81469 ChEBI: 6820 CHEMBL1411979 ChemSpider: 3956 C11114 PubChem:8667 PubChem:46505007 RxCUI: 6822 Wikipedia: Methapyrilene ZINC: ZINC000002510048
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.3 | IC50 | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.8 | IC50 | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.2 | IC50 | ChEMBL |