AMISULPRIDE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05AL05
UNII: 8110R61I4U

Structure
InChI Key NTJOBXMMWNYJFB-UHFFFAOYSA-N
Smile CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
InChI
InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H27N3O4S
Molecular Weight 369.49
AlogP 1.29
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 101.73
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine receptors; D2 & D3 antagonist
Primary Target
D2 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 22.02-26.31
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -7.98--0.69
Epigenetic regulator Writer Protein methyltransferase SET domain
- - - - 3-14
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 125.89 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 1.5-12.98 - 3-12.59 102.17
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 11.5-25.12 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Postoperative Nausea and Vomiting 4 D020250 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Nausea 2 D009325 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Anorexia Nervosa 1 D000856 ClinicalTrials
Depressive Disorder, Major 1 D003865 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials
Obsessive-Compulsive Disorder 1 D009771 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 71675-85-9
ChEBI 64045
ChEMBL CHEMBL243712
DrugBank DB06288
DrugCentral 179
EPA CompTox DTXSID5042613
FDA SRS 8110R61I4U
Human Metabolome Database HMDB15633
Guide to Pharmacology 963
PharmGKB PA162565877
PubChem 2159
SureChEMBL SCHEMBL34126
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