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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16264
CHEMBL16264
Compound Name ETHER
ChEMBL Synonyms Ether | ETHYL ETHER | ETHYL OXIDE | DIETHYL ETHER
Max Phase 2
Trade Names
Molecular Formula C4H10O

Additional synonyms for CHEMBL16264 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOCC
Standard InChI InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
Standard InChI Key RTZKZFJDLAIYFH-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL16264

Molecule Features

CHEMBL16264 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 ETHER
The Cochrane Collaboration ETHER

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
74.1 74.0732 0.75 2 9.23 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.04 1.04 0 5 0.47

Structural Alerts

There are no structural alerts for CHEMBL16264

Compound Cross References

ATC N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01A - ANESTHETICS, GENERAL
N01AA - Ethers
N01AA01 - diethyl ether

ChemSpider ChemSpider:RTZKZFJDLAIYFH-UHFFFAOYSA-N
Wikipedia Diethyl_ether

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16264



ACToR 60-29-7
Brenda 9470 49525 21393 10638
ChEBI 35702
DrugCentral 4417
eMolecules 485898
EPA CompTox Dashboard DTXSID3021720
FDA SRS 0F5N573A2Y
Human Metabolome Database HMDB0062326
KEGG Ligand C13240
Mcule MCULE-5665709021
Nikkaji J1.925I
NMRShiftDB 7995
PDBe ETZ
PubChem 3283
PubChem: Thomson Pharma 15146292
SureChEMBL SCHEMBL6
ZINC ZINC000001657408

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