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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL26
CHEMBL26
Compound Name SULPIRIDE
ChEMBL Synonyms DOGMATYL | DOLMATIL | SULPIRIDE
Max Phase 4 (Approved)
Trade Names DOGMATYL | DOLMATIL
Molecular Formula C15H23N3O4S

Additional synonyms for CHEMBL26 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
Standard InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12 ...
Download InChI
Standard InChI Key BGRJTUBHPOOWDU-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL26

Molecule Features

CHEMBL26 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
DementiaD003704HP:0000726dementia3ClinicalTrials

Clinical Data

ClinicalTrials.gov SULPIRIDE
The Cochrane Collaboration SULPIRIDE

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 CHEMBL26. 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
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.834
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.671
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.547
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.280

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.999
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.916
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.677
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.255

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
341.4 341.1409 0.56 6 101.73 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.98 8.97 .78 -1.07 1 23 0.79

Structural Alerts

There are no structural alerts for CHEMBL26

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05A - ANTIPSYCHOTICS
N05AL - Benzamides
N05AL01 - sulpiride

ChemSpider ChemSpider:BGRJTUBHPOOWDU-UHFFFAOYSA-N
PubChem SID: 144212522 SID: 50104625
Wikipedia Sulpiride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL26



ACToR 15676-16-1
Atlas sulpiride
BindingDB 11638
Brenda 3567 75628
ChEBI 32168
ChemicalBook CB4141314
DrugBank DB00391
DrugCentral 2537
eMolecules 594468
EPA CompTox Dashboard DTXSID1042574
Guide to Pharmacology 5501
Human Metabolome Database HMDB0014535
IBM Patent System C3AC81150F39259213FFA1E574E50311
LINCS LSM-5080
Mcule MCULE-7506797476
MolPort MolPort-002-070-475
Nikkaji J3.446K
NMRShiftDB 20037386
PharmGKB PA164745485
PubChem 5355
PubChem: Thomson Pharma 14802423
SureChEMBL SCHEMBL8421

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