Molecule Details
| InChIKey | ODQWQRRAPPTVAG-BOPFTXTBSA-N |
|---|---|
| Compound Name | (Z)-Doxepin |
| Canonical SMILES | CN(C)CC/C=C1/c2ccccc2COc2ccccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.33 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14750 |
|---|---|
| Drug Name | Cidoxepin |
| CAS Number | 3607-18-9 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50079527 ChEBI: 36691 CHEMBL101740 ChemSpider: 580850 PDB: D7V Wikipedia: Cidoxepin ZINC: ZINC000000001148
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 9.6 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.6 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.6 | Ki | BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 7.5 | Ki | BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.4 | Ki | BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 7.3 | Ki | BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.2 | Ki | BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.2 | Ki | BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 7.1 | Ki | BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 7.1 | Ki | BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 7.0 | Ki | BindingDB |
| Q9H3N8 | HRH4 | Homo sapiens | Human | PF00001 | 7.0 | Ki | BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.6 | Ki | BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |