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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

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
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.975
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.963
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.953
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 0.947
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.939
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.903
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.882
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.866
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 0.823
CHEMBL287 Sigma opioid receptor Homo sapiens 0.606
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.318
CHEMBL5067 Dopamine D1 receptor Sus scrofa 0.279
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.213



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5135 Voltage-gated potassium channel subunit Kv7.1 Cavia porcellus 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.999
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.999
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 0.999
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.998
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.991
CHEMBL5804 Toll-like receptor 9 Homo sapiens 0.983
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.968
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.940
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.913
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 0.878
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.865
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.845
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.768
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.669
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.581
CHEMBL2392 DNA polymerase beta Homo sapiens 0.506
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.486
CHEMBL287 Sigma opioid receptor Homo sapiens 0.451

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
458 457.1881 3.23 8 72.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 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 0.35

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
MolPort MolPort-005-933-014
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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