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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2008544
CHEMBL2008544
Compound Name ETYMEMAZINE
ChEMBL Synonyms RP 6484 | ETYMEMAZINE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C20H26N2S

Additional synonyms for CHEMBL2008544 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1
Standard InChI InChI=1S/C20H26N2S/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-2 ...
Download InChI
Standard InChI Key USKHCLAXJXCWMO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2008544

Molecule Features

CHEMBL2008544 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ETYMEMAZINE
The Cochrane Collaboration ETYMEMAZINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
326.5 326.1817 5.05 5 6.48 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.34 6.06 4.15 2 23 0.76

Structural Alerts

There are no structural alerts for CHEMBL2008544

Compound Cross References

ChemSpider ChemSpider:USKHCLAXJXCWMO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2008544



ACToR 523-54-6
ChEBI 135393
DrugCentral 3742
eMolecules 31592743
EPA CompTox Dashboard DTXSID0046935
IBM Patent System 2221026ECE04F2E1529C776B1A8FDB4A
Nikkaji J6.633H
PubChem 71823
PubChem: Thomson Pharma 15074659
SureChEMBL SCHEMBL790986

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