amisulpride


SMILES CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC
InChIKey NTJOBXMMWNYJFB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 369.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations D2 D4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pKi 7.9 7.88 8.0 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.6 7.77 7.94 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.62 8.62 8.62 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 7.68 8.25 8.77 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.7 5.7 5.7 PDSP Ki database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Rat Adenosine 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
D3 F1N454 Bovine Dopamine A pKi 8.54 8.64 8.74 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
α1B ADA1B Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine 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
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.13 7.51 7.89 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.38 5.62 5.87 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.87 7.42 7.94 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 5.95 5.95 5.95 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 5.81 5.81 5.81 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.52 8.71 8.89 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.63 5.63 5.63 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H4 HRH4 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
δ OPRD Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
κ OPRK Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
μ OPRM Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
EP3 PE2R3 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
EP4 PE2R4 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.08 5.61 6.13 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
D2 DRD2 Human Dopamine A pKi 8.07 8.07 8.07 Drug Central
D3 DRD3 Human Dopamine A pKi 8.07 8.07 8.07 Drug Central
D4 DRD4 Human Dopamine A pKi 8.25 8.25 8.25 Drug Central
D3 DRD3 Rat Dopamine A pKi 8.13 8.13 8.13 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.22 5.45 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.87 5.87 5.87 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 7.9 8.21 8.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.4 8.43 8.46 ChEMBL
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
AT1 AGTR1 Human Angiotensin A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 8.42 8.44 8.46 PDSP Ki database
α1D ADA1D Rat Adrenoceptors A pKi 5.15 5.15 5.15 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.5 6.0 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pIC50 8.52 8.52 8.52 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL