(+/-)-NUCIFERINE
| SMILES | COc1cc2c3c(c1OC)-c1ccccc1CC3N(C)CC2 |
| InChIKey | ORJVQPIHKOARKV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| 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 |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 6.2 | 6.21 | 6.23 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.68 | 6.72 | 6.76 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.76 | 6.76 | 6.76 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.88 | 6.88 | 6.88 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.32 | 6.32 | 6.32 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 7.19 | 7.19 | 7.19 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 4.83 | 4.83 | 4.83 | ChEMBL |