Molecule Details
| InChIKey | ZSTKHSQDNIGFLM-UHFFFAOYSA-N |
|---|---|
| Compound Name | O-Methylbufotenine |
| Canonical SMILES | COc1ccc2[nH]cc(CCN(C)C)c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 22 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14010 |
|---|---|
| Drug Name | 5-methoxy-N,N-dimethyltryptamine |
| CAS Number | 1019-45-0 |
| Groups | illicit investigational |
| ATC Codes | nan |
| Description | 5-methoxy-N,N-dimethyltryptamine (5-MeO-DMT) is a tryptamine with psychedelic properties. It is found in a wide variety of plant species, and a single psychoactive toad species, the Colorado River toad. This drug, as well as [dimethyltryptamine] and [bufotenin], have been registered to be used in So... |
Categories: Agents that produce hypertension Amines Antidepressive Agents Biogenic Amines Biogenic Monoamines Central Nervous System Depressants Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Indoles N,N-Dimethyltryptamine Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT1 Receptor Agonists Serotonin 5-HT2 Receptor Agonists Serotonin Agents Serotonin Receptor Agonists Tryptamines
Cross-references: BindingDB: 30707 ChEBI: 2086 CHEMBL7257 ChemSpider: 1766 C08309 PDB: YFW Wikipedia: 5-MeO-DMT ZINC: ZINC000000057152
Target Activities (22)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49286 | MTNR1B | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P30939 | HTR1F | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| A5X5Y0 | HTR3E | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Kd | ChEMBL |
| O95264 | HTR3B | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Kd | ChEMBL |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 7.1 | Ki | BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL;BindingDB |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Kd | ChEMBL |
| Q13639 | HTR4 | Homo sapiens | Human | PF00001 | 7.1 | Kd | ChEMBL |
| Q70Z44 | HTR3D | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Kd | ChEMBL |
| Q8WXA8 | HTR3C | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Kd | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P47898 | HTR5A | Homo sapiens | Human | PF00001 | 6.8 | Kd | ChEMBL;BindingDB |
| P48039 | MTNR1A | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P28566 | HTR1E | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P23786 | CPT2 | Homo sapiens | Human | PF00755 | 6.3 | Ki | BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | agonist | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | agonist | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | inhibitor | targets |
| P41595 | HTR2B | 5-hydroxytryptamine receptor 2B | inhibitor | targets |
| P50406 | HTR6 | 5-hydroxytryptamine receptor 6 | inhibitor | targets |