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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL243712
CHEMBL243712
Compound Name AMISULPRIDE
ChEMBL Synonyms AMISULPRIDE | SOLIAN 400 | SOLIAN 200 | SOLIAN | SOLIAN 50 | SOLIAN 100
Max Phase 4 (Approved)
Trade Names SOLIAN 200 | SOLIAN 400 | SOLIAN 50 | SOLIAN | SOLIAN 100
Molecular Formula C17H27N3O4S

Additional synonyms for CHEMBL243712 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)CC
Standard InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16 ...
Download InChI
Standard InChI Key NTJOBXMMWNYJFB-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL243712

Molecule Features

CHEMBL243712 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Dopamine receptors; D2 & D3 antagonist Dopamine receptors; D2 & D3 PubMed PubMed PubMed PubMed PubMed PubMed PubMed
Serotonin (5-HT) receptor antagonist Serotonin (5-HT) receptor PubMed PubMed PubMed PubMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials
Obsessive-Compulsive DisorderD009771EFO:0004242obsessive-compulsive disorder1ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder2ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials

Clinical Data

ClinicalTrials.gov AMISULPRIDE
The Cochrane Collaboration AMISULPRIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL243712. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.991

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.963

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
369.5 369.1722 1.29 7 101.73 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.73 8.97 1.5 -.33 1 25 0.7

Structural Alerts

There are 3 structural alerts for CHEMBL243712. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05A - ANTIPSYCHOTICS
N05AL - Benzamides
N05AL05 - amisulpride

ChemSpider ChemSpider:NTJOBXMMWNYJFB-UHFFFAOYSA-N
PubChem SID: 124891581 SID: 144206943 SID: 170466480 SID: 26719747 SID: 26719748 SID: 26753203
Wikipedia Amisulpride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL243712



ACToR 71675-85-9
BindingDB 81790
ChEBI 64045
ChemicalBook CB7312326
DrugBank DB06288
DrugCentral 179
eMolecules 1985473
EPA CompTox Dashboard DTXSID5042613
Guide to Pharmacology 963
Human Metabolome Database HMDB0015633
IBM Patent System 90D2775A93F7B9C67F7DCC3B3B02A8AB
LINCS LSM-1669
Mcule MCULE-4239265090
MolPort MolPort-003-983-463
NIH Clinical Collection SAM001246639
Nikkaji J18.603A
PharmGKB PA162565877
PubChem 2159
PubChem: Drugs of the Future 12013930
PubChem: Thomson Pharma 14852985
Selleck Amisulpride
SureChEMBL SCHEMBL34126

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NTJOBXMMWNYJFB-UHFFFAOYSA-N spacer
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