[3H]spiperone
| SMILES | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 |
| InChIKey | DKGZKTPJOSAWFA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 395.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D4 | DRD4 | Human | Dopamine | A | pKd | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| D3 | DRD3 | Rat | Dopamine | A | pKd | 9.9 | 9.9 | 9.9 | Guide to Pharmacology |
| D2 | DRD2 | Rat | Dopamine | A | pKd | 10.2 | 10.2 | 10.2 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 7.87 | 7.87 | 7.87 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.9 | 6.0 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 4.2 | 4.2 | 4.2 | ChEMBL |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.8 | 8.0 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.32 | 5.32 | 5.32 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.89 | 8.89 | 8.89 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.42 | 7.78 | 8.14 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.96 | 7.12 | 7.7 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 9.24 | 9.88 | 10.82 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.22 | 7.21 | 7.6 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.85 | 9.35 | 9.7 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.94 | 6.07 | 6.2 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 7.4 | 7.4 | 7.4 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.76 | 7.76 | 7.76 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.88 | 9.47 | 9.92 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.53 | 8.67 | 8.96 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.92 | 9.7 | 10.22 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKd | 9.8 | 9.8 | 9.8 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.0 | 5.22 | 5.45 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 10.22 | 10.22 | 10.22 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.91 | 6.91 | 6.91 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pIC50 | 8.31 | 8.9 | 9.3 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.01 | 7.83 | 9.44 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.25 | 8.25 | 8.25 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.59 | 9.05 | 9.6 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.85 | 8.85 | 8.85 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.6 | 5.6 | 5.6 | ChEMBL |