Molecule Details
| InChIKey | APJYDQYYACXCRM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tryptamine |
| Canonical SMILES | NCCc1c[nH]c2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.93 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08653 |
|---|---|
| Drug Name | Tryptamine |
| CAS Number | 61-54-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Amines Biogenic Amines Biogenic Monoamines Heterocyclic Compounds, Fused-Ring Indoles Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates
Cross-references: BindingDB: 50024210 ChEBI: 16765 CHEMBL6640 ChemSpider: 1118 Guide to Pharmacology: 125 IUPHAR: 125 C00398 PDB: TSS PubChem:1150 PubChem:99445124 Wikipedia: Tryptamine ZINC: ZINC000000120144
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.3 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.0 | Ki | BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.6 | Ki | BindingDB |
| P05164 | MPO | Homo sapiens | Human | PF03098 | 6.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P84887 | P84887 | Aralkylamine dehydrogenase light chain | binder | targets |
| P84888 | P84888 | Aralkylamine dehydrogenase heavy chain | binder | targets |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | inhibitor | targets |
| P27338 | MAOB | Amine oxidase [flavin-containing] B | inhibitor | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inhibitor | targets |