Molecule Details
| InChIKey | XRYLGRGAWQSVQW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Octoclothepine |
| Canonical SMILES | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.84 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15971 |
|---|---|
| Drug Name | Clorotepine |
| CAS Number | 13448-22-1 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Heterocyclic Compounds, Fused-Ring Sulfur Compounds Thiepins
Cross-references: ChEBI: 135459 CHEMBL64249 ChemSpider: 1201 Wikipedia: Clorotepine
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 9.7 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 9.4 | Ki | BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 9.4 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 9.2 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 9.2 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 8.7 | Ki | BindingDB |
| Q96RJ0 | TAAR1 | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P14416 | DRD2 | D(2) dopamine receptor | inhibitor | targets |
| P25100 | ADRA1D | Alpha-1D adrenergic receptor | inhibitor | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | inhibitor | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | inhibitor | targets |
| P35367 | HRH1 | Histamine H1 receptor | inhibitor | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | inhibitor | targets |
| P50406 | HTR6 | 5-hydroxytryptamine receptor 6 | inhibitor | targets |