CHEMBL371300
| SMILES | C[C@H](N)Cn1ncc2ccc(O)cc21 |
| InChIKey | WBYHTZYHAFNBKW-ZETCQYMHSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 191.1 |
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-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pEC50 | 8.43 | 8.43 | 8.43 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pEC50 | 5.25 | 5.25 | 5.25 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 5.84 | 5.84 | 5.84 | ChEMBL |