CHEMBL2429890
| SMILES | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 |
| InChIKey | VGYQUDBPYFLBLJ-PTCVETCVSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 295.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.22 | 5.22 | 5.22 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.94 | 5.94 | 5.94 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.18 | 5.18 | 5.18 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.38 | 5.38 | 5.38 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |