ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL517
CHEMBL517
Compound Name DISOPYRAMIDE
ChEMBL Synonyms DISOPYRAMIDE | Norpace | DISOPYRAMIDE PHOSPHATE | SC-13957 | NORPACE CR | NORPACE | SC-7031
Max Phase 4 (Approved)
Trade Names DISOPYRAMIDE PHOSPHATE | NORPACE | NORPACE CR
Molecular Formula C21H29N3O

Additional synonyms for CHEMBL517 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C
Standard InChI InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10 ...
Download InChI
Standard InChI Key UVTNFZQICZKOEM-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL517

Molecule Features

CHEMBL517 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel alpha subunit blocker Sodium channel alpha subunit DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ARRHYTHMIAS, CARDIACD001145EFO:0004269CARDIAC ARRHYTHMIA4ATC

Clinical Data

ClinicalTrials.gov DISOPYRAMIDE
The Cochrane Collaboration DISOPYRAMIDE

Metabolites for CHEMBL517

Open in full screen

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 CHEMBL517. 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
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.274

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.445

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
339.5 339.2311 3.42 8 59.22 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.1 2.33 -.07 2 25 0.8

Structural Alerts

There are 2 structural alerts for CHEMBL517. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01B - ANTIARRHYTHMICS, CLASS I AND III
C01BA - Antiarrhythmics, class Ia
C01BA03 - disopyramide

ChemSpider ChemSpider:UVTNFZQICZKOEM-UHFFFAOYSA-N
DailyMed disopyramide phosphate
PubChem SID: 144204278 SID: 170464947 SID: 174006632 SID: 50106174 SID: 85148360 SID: 85231006 SID: 90340571 SID: 90341382
Wikipedia Disopyramide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL517



ACToR 3737-09-5
Atlas disopyramide
BindingDB 50028893
ChEBI 4657
DrugBank DB00280
DrugCentral 926
eMolecules 537636
EPA CompTox Dashboard DTXSID1045536
Guide to Pharmacology 7167
Human Metabolome Database HMDB0014425
IBM Patent System 1DB403EC7337ECD6106A4D8038E1DE39
KEGG Ligand C06965
LINCS LSM-1439
Mcule MCULE-8866988334
Nikkaji J3.408H
PharmGKB PA449373
PubChem 3114
PubChem: Thomson Pharma 14777930
SureChEMBL SCHEMBL16153

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