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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL123558
CHEMBL123558
Compound Name AZIMILIDE
ChEMBL Synonyms AZIMILIDE | AZIMILIDE DIHYDROCHLORIDE | NE-10064
Max Phase 3
Trade Names
Molecular Formula C23H28ClN5O3

Additional synonyms for CHEMBL123558 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CCCCN2C(=O)CN(\N=C\c3oc(cc3)c4ccc(Cl)cc4)C2=O)CC1
Standard InChI InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-2 ...
Download InChI
Standard InChI Key MREBEPTUUMTTIA-PCLIKHOPSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL123558

Molecule Features

CHEMBL123558 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ARRHYTHMIAS, CARDIACD001145EFO:0004269CARDIAC ARRHYTHMIA3ClinicalTrials
ATRIAL FIBRILLATIOND001281EFO:0000275ATRIAL FIBRILLATION3ClinicalTrials

Clinical Data

ClinicalTrials.gov AZIMILIDE
The Cochrane Collaboration AZIMILIDE

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 CHEMBL123558. 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
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.998
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.998
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.997
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.984
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.944
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.911
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.876
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 0.635
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 0.496
CHEMBL287 Sigma opioid receptor Homo sapiens 0.207



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5135 Voltage-gated potassium channel subunit Kv7.1 Cavia porcellus 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.998
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.998
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 0.998
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.996
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.995
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.993
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.987
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.987
CHEMBL5804 Toll-like receptor 9 Homo sapiens 0.831
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.676
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.542
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.517
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.488
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 0.289
CHEMBL2392 DNA polymerase beta Homo sapiens 0.275

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
458 457.1881 3.5 8 72.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.72 3.33 2.66 2 32 0.34

Structural Alerts

There are 3 structural alerts for CHEMBL123558. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MREBEPTUUMTTIA-PCLIKHOPSA-N
Wikipedia Azimilide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL123558



ACToR 149908-53-2
ChEBI 34545
Guide to Pharmacology 2588
KEGG Ligand C13777
Nikkaji J566.960J
PubChem 9571004
PubChem: Thomson Pharma 14833668
SureChEMBL SCHEMBL26354
ZINC ZINC000021983255

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