Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E06QYB)
DIG Name
Stearic hydrazide
Synonyms    Click to Show/Hide the Synonyms of This DIG
Stearic acid hydrazide; 4130-54-5; STEARIC HYDRAZIDE; Stearohydrazide; octadecanehydrazide; Octadecanoic acid, hydrazide; Stearoylhydrazine; Stearic acid, hydrazide; UNII-3FV1C68XOP; 3FV1C68XOP; MFCD00014764; C18H38N2O; EINECS 223-946-8; NSC 67213; Octadecanohydrazide #; Octadecanoic hydrazide; stearic acid hydrazone; ACMC-209jjq; NCIOpen2_002944; SCHEMBL765863; DTXSID5063316; Stearic acid, hydrazide (8CI); Stearic acid hydrazide, AldrichCPR; NSC67213; 2916AE; ANW-29604; NSC-67213; STEARIC ACID HYDRAZIDE, 97%; ZINC86050964; AKOS015839767; FS-3850; FT-0682186; Q27257160
DIG Function
Emulsifying agent
PubChem CID
20088
Formula
C18H38N2O
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NN
InChI
1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h2-17,19H2,1H3,(H,20,21)
InChIKey
BYTFESSQUGDMQQ-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=20088"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 298.5 Topological Polar Surface Area 55.1
XlogP 6.4 Complexity 219
Heavy Atom Count 21 Rotatable Bond Count 16
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Arachidonate 5-lipoxygenase (ALOX5) 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 = 6000 nM (estimated based on the structural similarity with CHEMBL25790 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.75
                    Tested Species Homo sapiens (Human)
                    UniProt ID LOX5_HUMAN
      Other protein families (OPF)
            DBT Name: Guanine-binding G(i) alpha-1 (GNAI1) 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 EC50 = 38500 nM (estimated based on the structural similarity with CHEMBL3215538 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.75
                    Tested Species Homo sapiens (Human)
                    UniProt ID GNAI1_HUMAN
            DBT Name: Guanine-binding G(i) alpha-3 (GNAI3) 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 EC50 = 24900 nM (estimated based on the structural similarity with CHEMBL3215538 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.75
                    Tested Species Homo sapiens (Human)
                    UniProt ID GNAI3_HUMAN
            DBT Name: Guanine-binding G(o) alpha (GNAO1) 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 EC50 = 23400 nM (estimated based on the structural similarity with CHEMBL3215538 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.75
                    Tested Species Homo sapiens (Human)
                    UniProt ID GNAO_HUMAN
References
1 Structure-activity relationships of the pyridazinone series of 5-lipoxygenase inhibitors. Bioorg Med Chem Lett. (1992) 2:1357-1360.
2 Design, synthesis, and preliminary pharmacological evaluation of a set of small molecules that directly activate gi proteins. J Med Chem. 2005 Oct 6; 48(20):6491-503.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.