SKF-83566
| SMILES | CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O |
| InChIKey | XFTVOHWWEQGXLS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 331.1 |
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 | Human | Dopamine | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.4 | 8.63 | 8.76 | ChEMBL |
| D1 | DRD1 | Rat | Dopamine | A | pKd | 8.63 | 8.63 | 8.63 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.54 | 9.1 | 9.52 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.54 | 5.54 | 5.54 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.65 | 5.65 | 5.65 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |