Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0GY0V)
DIG Name
Silotermo carmine G
Synonyms    Click to Show/Hide the Synonyms of This DIG
Pigment red 57; 5858-81-1; D and C Red No. 6; D&C Red No. 6; Lithol Rubine; C.I. Pigment Red 57, disodium salt; Lithol Rubine B; LITHOLRUBINBCA; UNII-481744AI4O; 481744AI4O; C.I. 15850; Lithol rubin B; Pigment Rubine B; Siloton Rubine B; Vynamon Claret Y; Irgalite Red 4B; Isol Ruby BK; Isol Ruby BKS; Pigment Red 57:1; Segnale Red 3R; Permanent Red 4B; Plastol Rubine BC; Lithol Rubine BNA; Irgalite Rubine PB; Resamine Rubine BC; Siloton Rubine 2B; Pigment Rubine BCL; Silotermo Carmine G; Isol Bona Rubine BK; Japan Red 201; Permanent Red F 6R; D&c red no.6; Isol Bona Rubine BKS; Isol Bona Rubine KBK; Kromon Permanent Red 4B; Rubine Red RR 1253; sodium (E)-3-hydroxy-4-((4-methyl-2-sulfonatophenyl)diazenyl)-2-naphthoate; D & C Red no. 6; Cerven pigment 57 [Czech]; Cerven pigment 57; 11070 Red; EINECS 227-497-9; Red 202; CCRIS 8549; Lithol Rubine BK; 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-(4-methyl-2-sulfophenyl)diazenyl)-, sodium salt (1:2); 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(4-methyl-2-sulfophenyl)diazenyl]-, sodium salt (1:2); CI 15850; FD&C Red No. 6; C.I. Pigment Red 57, disodium salt (8CI); 2-Naphthalenecarboxylic acid, 3-hydroxy-4-((4-methyl-2-sulfophenyl)azo)-, disodium salt; Organic Pigment Red 57:1; SCHEMBL341437; SCHEMBL1435735; DTXSID6064038; C.I. Pigment Red 57 (7CI); Disodium 3-hydroxy-4-((4-methyl-2-sulphonatophenyl)azo)-2-naphthoate; AKOS032950039; 3-Hydroxy-4-((4-methyl-2-sulfophenyl)azo)-2-naphthalenecarboxylic acid, disodium salt; Q427230; Disodium 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthoate, AldrichCPR; 3,4-Dihydro-3-oxo-4-[2-[2-(sodiosulfo)-4-methylphenyl]hydrazono]naphthalene-2-carboxylic acid sodium salt
DIG Function
Colorant
PubChem CID
135487652
Formula
C18H12N2Na2O6S
Canonical SMILES
CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI
1S/C18H14N2O6S.2Na/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2
InChIKey
VPWFPZBFBFHIIL-UHFFFAOYSA-L
   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=135487652"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 430.3 Topological Polar Surface Area 151
XlogP N.A. Complexity 663
Heavy Atom Count 29 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Fluconazole
 API Info
Candidiasis [ICD-11: 1F23]
 [1]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Aspirin
 API Info
Myocardial infarction [ICD-11: BA41]
 [2]
Warfarin
 API Info
Atrial fibrillation [ICD-11: BC81]
 [3]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Potential-driven transporter (PDT)
            DBT Name: Solute carrier SLCO1B1 (OATP-C) 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 Ki = 3.1 uM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO1B1_HUMAN
            DBT Name: Solute carrier SLCO2B1 (OATPB) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Inhibition ratio = 60.3 % (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 11.3 uM (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 10 uM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
      Other protein families (OPF)
            DBT Name: Thrombopoietin receptor (MPL) 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 = 10000 nM (estimated based on the structural similarity with CHEMBL331220 ) [6]
                    Structural Similarity Tanimoto coefficient = 0.886010363
                    Tested Species Homo sapiens (Human)
                    UniProt ID TPOR_HUMAN
References
1 FDA label for approved fluconazole from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved aspirin from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved warfarin from the official website of the U.S. Food and Drug Administration.
4 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
5 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
6 Hydrazinonaphthalene and azonaphthalene thrombopoietin mimics are nonpeptidyl promoters of megakaryocytopoiesis. J Med Chem. 2001 Oct 25; 44(22):3730-45.

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