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 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 7.75 | 8.8 | Guide to Pharmacology |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.75 | 6.0 | Guide to Pharmacology |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 8.6 | 9.4 | Guide to Pharmacology |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.9 | 6.2 | Guide to Pharmacology |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.5 | 8.0 | Guide to Pharmacology |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKd | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.1 | 9.2 | Guide to Pharmacology |
5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
5-HT1B | 5HT1B | Mouse | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.4 | 8.9 | 9.4 | 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 |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.8 | 8.0 | ChEMBL |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.9 | 6.0 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 4.2 | 4.2 | 4.2 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 7.66 | 7.66 | 7.66 | 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 |
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 |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.22 | 7.21 | 7.6 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | 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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.88 | 9.47 | 9.92 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.53 | 8.7 | 8.96 | 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 |
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-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.96 | 6.12 | 6.3 | PDSP Ki database |
5-HT2C | 5HT2C | Mouse | 5-Hydroxytryptamine | A | pKi | 6.29 | 6.29 | 6.29 | PDSP Ki database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.7 | 6.04 | 7.21 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.89 | 6.1 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.37 | 7.04 | 7.76 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.37 | 7.22 | 7.71 | PDSP Ki database |
5-HT1A | F6Q2H9 | Bovine | 5-Hydroxytryptamine | A | pKi | 6.81 | 7.22 | 7.64 | PDSP Ki database |
5-HT1A | A0A4X1UTF5 | Pig | 5-Hydroxytryptamine | A | pKi | 7.18 | 7.21 | 7.32 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.4 | 6.0 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.14 | 5.32 | PDSP Ki database |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.24 | 5.3 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 8.65 | 9.42 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.4 | 9.08 | 9.92 | PDSP Ki database |
5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pKi | 8.85 | 8.85 | 8.85 | PDSP Ki database |
5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | PDSP Ki database |
5-HT2B | F6QI78 | Bovine | 5-Hydroxytryptamine | A | pKi | 9.1 | 9.1 | 9.1 | PDSP Ki database |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.88 | 8.0 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.24 | 6.45 | 6.66 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.36 | 10.03 | 10.52 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.15 | 9.53 | 9.7 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.5 | 6.0 | PDSP Ki database |
5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pKi | 7.21 | 7.21 | 7.21 | PDSP Ki database |
D4 | DRD4 | Rat | Dopamine | A | pKi | 9.41 | 9.86 | 10.3 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.18 | 9.88 | 10.7 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 6.05 | 6.5 | PDSP Ki database |
5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.41 | 5.52 | PDSP Ki database |
5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.67 | 7.0 | 7.32 | PDSP Ki database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.96 | 6.96 | 6.96 | PDSP Ki database |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | PDSP Ki database |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 6.7 | 8.4 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.4 | 9.17 | 10.1 | PDSP Ki database |
D2 | A0A287B0Q7 | Pig | Dopamine | A | pKi | 9.72 | 10.11 | 10.52 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 6.18 | 6.35 | 6.57 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.08 | 5.77 | 6.45 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 9.6 | 9.6 | 9.6 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.85 | 5.94 | 6.12 | PDSP Ki database |
5-HT1D | 5HT1D | Dog | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
5-HT2B | 5HT2B | Mouse | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | PDSP Ki database |
5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | PDSP Ki database |
D2 | DRD2 | Mouse | Dopamine | A | pKi | 9.96 | 10.48 | 11.0 | PDSP Ki database |
α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 7.2 | 7.8 | 8.3 | PDSP Ki database |
5-HT1A | A0A286Y074 | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | PDSP Ki database |
D1 | DRD1 | Mouse | Dopamine | A | pKi | 6.44 | 6.44 | 6.44 | PDSP Ki database |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.69 | 7.88 | 8.08 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 6.17 | 6.17 | 6.17 | PDSP Ki database |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 4.2 | 4.2 | 4.2 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 8.13 | 8.13 | 8.13 | 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 | 8.28 | 8.28 | 8.28 | Drug Central |
5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.38 | 8.38 | 8.38 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.99 | 7.99 | 7.99 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
5-HT1B | 5HT1B | Mouse | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 6.2 | 6.5 | Guide to Pharmacology |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.51 | 8.51 | 8.51 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.35 | 5.35 | 5.35 | PDSP Ki database |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.57 | 5.57 | 5.57 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.85 | 8.0 | Guide to Pharmacology |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.97 | 7.97 | 7.97 | Drug Central |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 7.87 | 7.87 | 7.87 | 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 |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.91 | 6.91 | 6.91 | 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 | 9.03 | 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 |