CHEMBL292821
| SMILES | COc1cc(CCN)c(OC)cc1Br |
| InChIKey | YMHOBZXQZVXHBM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 259.0 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.72 | 7.2 | 7.44 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.47 | 8.55 | 9.18 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TA1 | TAAR1 | Human | Trace amine | A | pEC50 | 5.14 | 5.14 | 5.14 | ChEMBL |