octopamine
| SMILES | NCC(c1ccc(cc1)O)O |
| InChIKey | QHGUCRYDKWKLMG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 153.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Endogenous |
| Approved drug | Yes |
Database connections
| Ligand site mutations | α2A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 4.8 | 5.3 | 5.8 | Guide to Pharmacology |
| TA1 | TAAR1 | Rat | Trace amine | A | pEC50 | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
| TA1 | TAAR1 | Mouse | Trace amine | A | pEC50 | 5.4 | 5.6 | 5.8 | Guide to Pharmacology |
| TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| TA1 | TAAR1 | Rat | Trace amine | A | pEC50 | 8.23 | 8.23 | 8.23 | Drug Central |
| TA1 | TAAR1 | Mouse | Trace amine | A | pEC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| TA1 | TAAR1 | Rat | Trace amine | A | pEC50 | 5.89 | 5.89 | 5.89 | ChEMBL |