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

Sankey plot

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
D2 DRD2 Human Dopamine A pKi 8.52 8.71 8.89 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.6 7.77 7.94 ChEMBL
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
α1B ADA1B Rat Adrenoceptors A pKi 5.0 5.0 5.0 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
D1 DRD1 Rat Dopamine 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
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D3 A0A4W2FUW7 Hybrid cattle 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
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.87 5.87 5.87 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine 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-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.13 7.51 7.89 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
α1B ADA1B Human Adrenoceptors 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
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
H2 HRH2 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
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-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
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 Human Dopamine A pKi 8.62 8.62 8.62 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.22 5.45 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 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
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
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
D4 DRD4 Human Dopamine A pKi 5.63 5.63 5.63 PDSP Ki database
AT1 AGTR1 Human Angiotensin 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
α1D ADA1D Rat Adrenoceptors A pKi 5.15 5.15 5.15 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors 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