(+)-sulpiride
SMILES | CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N |
InChIKey | BGRJTUBHPOOWDU-LLVKDONJSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 341.1 |
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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.28 | 7.64 | 8.0 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.68 | 7.55 | 7.85 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.72 | 6.19 | 7.7 | Guide to Pharmacology |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 4.3 | 4.3 | 4.3 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.57 | 7.33 | 8.26 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKd | 8.82 | 8.82 | 8.82 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.92 | 7.29 | 8.1 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKd | 7.4 | 7.4 | 7.4 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.92 | 7.33 | 8.12 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKd | 8.55 | 8.55 | 8.55 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.31 | 6.23 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.41 | 5.52 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.69 | 7.78 | 8.38 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.82 | 8.0 | 8.1 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.89 | 7.27 | 9.68 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Mouse | Dopamine | A | pKi | 5.89 | 7.09 | 7.84 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Mouse | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.32 | 5.32 | 5.32 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.09 | 8.12 | 8.14 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.09 | 8.12 | 8.15 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 8.37 | 8.37 | 8.37 | Drug Central |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
D2 | DRD2 | Rat | Dopamine | A | pKd | 8.05 | 8.05 | 8.05 | Drug Central |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.27 | 7.27 | 7.27 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.63 | 6.9 | 7.48 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.25 | 6.78 | 7.18 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.69 | 7.24 | 7.99 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
D2 | DRD2 | Dog | Dopamine | A | pIC50 | 8.17 | 8.17 | 8.17 | Drug Central |
D2 | DRD2 | Dog | Dopamine | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |