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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL135400
CHEMBL135400
Compound Name ZOPICLONE
ChEMBL Synonyms ZOPICLONE | RP 27267 | ZILEZE 7.5 | ZIMOVANE LS | ZIMOVANE | ZILEZE 3.75
Max Phase 4 (Approved)
Trade Names ZILEZE 7.5 | ZIMOVANE LS | ZIMOVANE | ZILEZE 3.75
Molecular Formula C17H17ClN6O3

Additional synonyms for CHEMBL135400 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4
Standard InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13( ...
Download InChI
Standard InChI Key GBBSUAFBMRNDJC-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL135400

Molecule Features

CHEMBL135400 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
DementiaD003704HP:0000726dementia3ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Sleep Apnea, ObstructiveD020181EFO:0003918obstructive sleep apnea3ClinicalTrials
Sleep Initiation and Maintenance DisordersD007319EFO:0004698insomnia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials

Clinical Data

ClinicalTrials.gov ZOPICLONE
The Cochrane Collaboration ZOPICLONE

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 CHEMBL135400. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.536
CHEMBL240 HERG Homo sapiens 0.229
CHEMBL5747 CREB-binding protein Homo sapiens 0.202

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
388.8 388.1051 1.57 2 91.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 9 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.7 2.71 2.63 2 27 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL135400. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CF - Benzodiazepine related drugs
N05CF01 - zopiclone

ChemSpider ChemSpider:GBBSUAFBMRNDJC-UHFFFAOYSA-N
PubChem SID: 124881861 SID: 26747152 SID: 866104
Wikipedia Zopiclone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL135400



ACToR 138680-07-6 43200-80-2
ChEBI 32315
ChemicalBook CB1401303
DrugBank DB01198
DrugCentral 2873
eMolecules 596296
EPA CompTox Dashboard DTXSID4041155
Guide to Pharmacology 7430
Human Metabolome Database HMDB0015329
LINCS LSM-4408
Mcule MCULE-4633960136
Nikkaji J16.885H
PharmGKB PA10236
PubChem 5735
PubChem: Drugs of the Future 12013157
PubChem: Thomson Pharma 14780617
SureChEMBL SCHEMBL44419

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