Molecule Details
| InChIKey | BXNJHAXVSOCGBA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Harmine |
| Canonical SMILES | COc1ccc2c(c1)[nH]c1c(C)nccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07919 |
|---|---|
| Drug Name | Harmine |
| CAS Number | 442-51-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Alkaloids Antidepressive Agents Carbolines Central Nervous System Agents Central Nervous System Depressants Enzyme Inhibitors Hallucinogens Harmala Alkaloids Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Indolizidines Indolizines Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates Monoamine Oxidase Inhibitors Psychotropic Drugs
Cross-references: BindingDB: 100152 ChEBI: 28121 CHEMBL269538 ChemSpider: 4444445 C06538 PDB: HRM PubChem:5280953 PubChem:99444390 Wikipedia: Harmine ZINC: ZINC000018847046
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21397 | MAOA | Homo sapiens | Human | PF01593 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q9Y2I1 | NISCH | Homo sapiens | Human | PF25625 PF23142 PF00787 | 7.7 | Ki | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| Q8TF76 | HASPIN | Homo sapiens | Human | PF12330 | 6.2 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.1 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
| Q92630 | DYRK2 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O43781 | DYRK3 | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | inhibitor | targets |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | inhibitor | targets |
| Q13627 | DYRK1A | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | inhibitor | targets |
| Q92630 | DYRK2 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | inhibitor | targets |