CHEMBL391272
| SMILES | C[C@H]1CN(c2ccc3cc(F)ccc3c2)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21 |
| InChIKey | RRWISUYOSRHAFZ-QYBDOPJKSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 447.2 |
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-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |