General Information of DIG (ID: E00DYA)
DIG Name
Stearamidoethyl diethylamine
Synonyms    Click to Show/Hide the Synonyms of This DIG
Stearamidoethyl diethylamine; 16889-14-8; Lexamine 22; N-(2-(Diethylamino)ethyl)stearamide; N-[2-(diethylamino)ethyl]octadecanamide; N-[2-(Diethylamino)ethyl]stearamide; Octadecanamide, N-[2-(diethylamino)ethyl]-; UNII-25FFJ4209Z; 25FFJ4209Z; Stearic acid-N,N-diethylethylenediamine condensate; Octadecanamide, N-(2-(diethylamino)ethyl)-; N-(2-(Diethylamino)ethyl)octadecanamide; Diethylaminoethyl stearamide; Sapamine COB-ST (VAN); Sapamine COB-ST; EINECS 240-924-3; NSC 126195; Chemical Base 6532; SCHEMBL74483; DTXSID9066128; NSC126195; AKOS022181126; ZINC100066655; MCULE-4193774529; NSC-126195; FT-0716114; Q27253955
DIG Function
Other agent
PubChem CID
24091
Formula
C24H50N2O
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC
InChI
1S/C24H50N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h4-23H2,1-3H3,(H,25,27)
InChIKey
KKBOOQDFOWZSDC-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
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3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 382.7 Topological Polar Surface Area 32.299
XlogP 8.7 Complexity 303
Heavy Atom Count 27 Rotatable Bond Count 21
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Hydrolase (HDase)
            DBT Name: Oleamide hydrolase 1 (FAAH) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 3548.13 nM (estimated based on the structural similarity with CHEMBL32886 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.923076923
                    Tested Species Homo sapiens (Human)
                    UniProt ID FAAH1_HUMAN
References
1 Discovery and development of fatty acid amide hydrolase (FAAH) inhibitors. J Med Chem. 2008 Dec 11; 51(23):7327-43.

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