Molecule Details
| InChIKey | AUVVAXYIELKVAI-CKBKHPSWSA-N |
|---|---|
| Compound Name | Emetine |
| Canonical SMILES | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13393 |
|---|---|
| Drug Name | Emetine |
| CAS Number | 483-18-1 |
| Groups | investigational |
| ATC Codes | P01AX02 P01AX52 |
| Description | nan |
Categories: Agents Causing Muscle Toxicity Alkaloids Amebicides Anti-Infective Agents Antinematodal Agents Antiparasitic Agents Antiparasitic Products, Insecticides and Repellents Antiprotozoals Autonomic Agents Central Nervous System Agents Emetics Enzyme Inhibitors Gastrointestinal Agents Heterocyclic Compounds, Fused-Ring Isoquinolines Peripheral Nervous System Agents Protein Synthesis Inhibitors
Cross-references: BindingDB: 50216297 ChEBI: 4781 CHEMBL50588 ChemSpider: 9802 C09421 PDB: YAT RxCUI: 3820 Wikipedia: Emetine ZINC: ZINC000003830747
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.6 | IC50 | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL |
| Q16665 | HIF1A | Homo sapiens | Human | PF23171 PF11413 PF08778 PF00989 PF08447 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q99814 | EPAS1 | Homo sapiens | Human | PF23171 PF11413 PF08778 PF00989 PF14598 | 7.0 | IC50 | ChEMBL |
| P11166 | SLC2A1 | Homo sapiens | Human | PF00083 | 7.0 | IC50 | ChEMBL |
| Q13285 | NR5A1 | Homo sapiens | Human | PF00104 PF00105 | 6.6 | IC50 | BindingDB |
| P35398 | RORA | Homo sapiens | Human | PF00104 PF00105 | 6.5 | IC50 | BindingDB |
| Q9HC97 | GPR35 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| O61059 | LmGT2 | Leishmania mexicana | Pathogen | PF00083 | 7.1 | IC50 | ChEMBL |
| O97467 | ht1 | Plasmodium falciparum | Pathogen | PF00083 | 7.0 | IC50 | ChEMBL |