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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 Oleate | Monoethanolamine
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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL104943

Alternate Forms of Compound in ChEMBL


CHEMBL104943

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

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
BindinDB 7973
ChEBI 16000
DrugBank DB03994
eMolecules 474362
FDA SRS 5KV86114PT
Human Metabolome Database HMDB00149
KEGG Ligand C00189
Mcule MCULE-5175116598
MolPort MolPort-001-785-860
Nikkaji J2.536D
NMRShiftDB 10008325
PDBe ETA
PubChem 700
PubChem: Thomson Pharma 15218601
SureChEMBL SCHEMBL1644

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