fluspirilene
| SMILES | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 |
| InChIKey | QOYHHIBFXOOADH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 475.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.96 | 6.96 | 6.96 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 6.35 | 6.35 | 6.35 | PDSP Ki database |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.74 | 5.74 | 5.74 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.25 | 7.25 | 7.25 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.95 | 5.95 | 5.95 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 8.96 | 8.96 | 8.96 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 6.27 | 6.27 | 6.27 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.82 | 8.82 | 8.82 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.02 | 8.02 | 8.02 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.24 | 6.24 | 6.24 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.32 | 7.32 | 7.32 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.92 | 9.37 | 9.7 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.37 | 8.73 | 9.4 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.21 | 7.21 | 7.21 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.29 | 6.29 | 6.29 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.92 | 7.92 | 7.92 | PDSP Ki database |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 9.22 | 9.22 | 9.22 | PDSP Ki database |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.85 | 5.85 | 5.85 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| μ | OPRM | Rat | Opioid | A | pKi | 7.11 | 7.11 | 7.11 | PDSP Ki database |
| CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| PAF | PTAFR | Human | Platelet-activating factor | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| δ | OPRD | Mouse | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| NOP | OPRX | Human | Opioid | A | pKi | 6.3 | 6.3 | 6.3 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| NOP | OPRX | Human | Opioid | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.65 | 5.65 | 5.65 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.23 | 6.23 | 6.23 | PDSP Ki database |
| NOP | OPRX | Human | Opioid | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| TP | TA2R | Human | Prostanoid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.88 | 4.95 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 5.0 | 5.1 | ChEMBL |