CHEMBL5840586
| SMILES | COc1ccc2oc(C(=O)N[C@H]3CC[C@H](CCN4CCN(c5nsc6ccccc56)CC4)CC3)cc2c1 |
| InChIKey | UEUHNMQUIFFWEA-AQYVVDRMSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 518.2 |
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-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.95 | 8.95 | 8.95 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.98 | 8.98 | 8.98 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |