Molecule Details
| InChIKey | HGEYJZMMUGWEOT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Roxindole |
| Canonical SMILES | Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.9 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19883 |
|---|---|
| Drug Name | Roxindole |
| CAS Number | 112192-04-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Roxindole is a small molecule drug. Roxindole has a monoisotopic molecular weight of 346.2 Da. |
Categories: Alkaloids Antidepressive Agents Central Nervous System Agents Central Nervous System Depressants Dopamine Agents Dopamine Agonists Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Indolizidines Indolizines Neurotransmitter Agents Psychotropic Drugs
Cross-references: BindingDB: 50002173 ChEBI: 48558 CHEMBL431367 ZINC: ZINC000001548439
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 9.4 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 9.1 | IC50 | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.9 | Ki | BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 8.8 | Ki | BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.6 | Ki | BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.6 | Ki | BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.5 | Ki | BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 8.3 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 8.2 | Ki | BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.2 | Ki | BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.5 | Ki | BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 7.2 | Ki | BindingDB |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 6.7 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P14416 | DRD2 | D(2) dopamine receptor | inhibitor | targets |