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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL104943
CHEMBL104943
Compound Name MONOETHANOLAMINE
ChEMBL Synonyms MONOETHANOLAMINE | MONOETHANOLAMINE OLEATE
Max Phase 0
Trade Names
Molecular Formula C2H7NO

Additional synonyms for CHEMBL104943 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCO
Standard InChI InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
Standard InChI Key HZAXFHJVJLSVMW-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL104943

Molecule Features

CHEMBL104943 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 MONOETHANOLAMINE
The Cochrane Collaboration MONOETHANOLAMINE

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
61.1 61.0528 -1.19 1 46.25 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.85 9.16 -1.48 -3.77 0 4 0.4

Structural Alerts

There are no structural alerts for CHEMBL104943

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C05 - VASOPROTECTIVES
C05B - ANTIVARICOSE THERAPY
C05BB - Sclerosing agents for local injection
C05BB01 - monoethanolamine oleate

ChemSpider ChemSpider:HZAXFHJVJLSVMW-UHFFFAOYSA-N
PubChem SID: 144213981 SID: 17389575
Wikipedia Ethanolamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL104943



ACToR 141-43-5
BindingDB 7973
Brenda 456 15628 9009 20384
ChEBI 16000
DrugBank DB03994
eMolecules 474362
EPA CompTox Dashboard DTXSID6022000
FDA SRS 5KV86114PT
Human Metabolome Database HMDB0000149
KEGG Ligand C00189
Mcule MCULE-5175116598
Metabolights MTBLC16000
MolPort MolPort-001-785-860
Nikkaji J2.536D
NMRShiftDB 10008325
PDBe ETA
PubChem 700
PubChem: Thomson Pharma 15218601
SureChEMBL SCHEMBL1644
ZINC ZINC000008214617

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