CHEMBL287047
| SMILES | COc1ccc(OC)c(CCN)c1 |
| InChIKey | WNCUVUUEJZEATP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 181.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | 5-HT2A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.19 | 5.22 | 5.26 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 4.96 | 4.96 | 4.96 | ChEMBL |