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targets (2)
for drugs
Identification
Name Ethanolamine
Accession Number DB03994 (EXPT01366)
Type small molecule
Groups experimental
Description

A viscous, hygroscopic amino alcohol with an ammoniacal odor. It is widely distributed in biological tissue and is a component of lecithin. It is used as a surfactant, fluorimetric reagent, and to remove CO2 and H2S from natural gas and other gases. [PubChem]
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 141-43-5
Weight Average: 61.0831
Monoisotopic: 61.052763851
Chemical Formula C2H7NO
InChI Key InChIKey=HZAXFHJVJLSVMW-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
Plain Text
IUPAC Name
2-aminoethan-1-ol
SMILES
NCCO
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
melting point 10.5 °C PhysProp
boiling point 171 °C PhysProp
water solubility 1E+006 mg/L RIDDICK,JA ET AL. (1986)
logP -1.31 HANSCH,C ET AL. (1995)
pKa 9.5 PERRIN,DD (1972)
Predicted Properties
Property Value Source
water solubility 8.49e+02 g/l ALOGPS
logP -1.5 ALOGPS
logP -1.3 ChemAxon
logS 1.14 ALOGPS
pKa (strongest acidic) 15.61 ChemAxon
pKa (strongest basic) 9.55 ChemAxon
physiological charge 1 ChemAxon
hydrogen acceptor count 2 ChemAxon
hydrogen donor count 2 ChemAxon
polar surface area 46.25 ChemAxon
rotatable bond count 1 ChemAxon
refractivity 16.21 ChemAxon
polarizability 6.63 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Drug D05074 Link_out
KEGG Compound C00189 Link_out
PubChem Compound 700 Link_out
PubChem Substance 46508846 Link_out
BindingDB 7973 Link_out
ChEBI 16000 Link_out
ChEMBL 16000 Link_out
HET ETA Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Surface protein A

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q9RP17 Link_out
Gene: nspA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

2. Annexin A3

Pharmacological action: unknown

Inhibitor of phospholipase A2, also possesses anti- coagulant properties. Also cleaves the cyclic bond of inositol 1,2-cyclic phosphate to form inositol 1-phosphate

Organism class: human
UniProt ID: P12429 Link_out
Gene: ANXA3
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:22