AMISULPRIDE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC N05AL05
UNII 8110R61I4U
EPA CompTox DTXSID5042613

Structure

InChI Key NTJOBXMMWNYJFB-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Dopamine receptors; D2 & D3 antagonist ANTAGONIST PubMed PubMed PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
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
- 3.04 - 3.981-12.59 102.17
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 25.12-630.96 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.04 - 3.981-630.96 3-102.17
Rattus norvegicus
- - - 125.89 -

Target Conservation

Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3E
Organism : Homo sapiens
A5X5Y0 ENSG00000186038
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3B
Organism : Homo sapiens
O95264 ENSG00000149305
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1A
Organism : Homo sapiens
P08908 ENSG00000178394
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1D
Organism : Homo sapiens
P28221 ENSG00000179546
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1B
Organism : Homo sapiens
P28222 ENSG00000135312
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1E
Organism : Homo sapiens
P28566 ENSG00000168830
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1F
Organism : Homo sapiens
P30939 ENSG00000179097
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 7
Organism : Homo sapiens
P34969 ENSG00000148680
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 2B
Organism : Homo sapiens
P41595 ENSG00000135914
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3A
Organism : Homo sapiens
P46098 ENSG00000166736
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 5A
Organism : Homo sapiens
P47898 ENSG00000157219
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 6
Organism : Homo sapiens
P50406 ENSG00000158748
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 4
Organism : Homo sapiens
Q13639 ENSG00000164270
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3D
Organism : Homo sapiens
Q70Z44 ENSG00000186090
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3C
Organism : Homo sapiens
Q8WXA8 ENSG00000178084

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 64045
ChEMBL CHEMBL243712
DrugBank DB06288
DrugCentral 179
FDA SRS 8110R61I4U
Human Metabolome Database HMDB0015633
Guide to Pharmacology 963
PharmGKB PA162565877
PubChem 2159
SureChEMBL SCHEMBL34126
CONTENTS