Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E02QDK)
DIG Name	D&C red no. 33
Synonyms	Click to Show/Hide the Synonyms of This DIG Azo fuchsine; Acid red 33; 3567-66-6; D&C Red 33; Azo grenadine; C.I. Acid Red 33, disodium salt; Acid fuchsine D; Redusol Z; Azo magenta G; Certicol Red B; Fast acid magenta; Hexalan Red B; Acetyl Red B; 11427 Red; Naphthalene Red B; Colacid Red 2A; Acid Red B; Hispacid Fuchsin B; Brasilan fuchsine D; Hexacol Red 10B; UNII-9DBA0SBB0L; Amacid fuchsine 4B; Eniacid fuchsine BN; D&C Red No. 33; Acid Red 2A; Acid Fuchsin Fast B; Fast Acid Magenta B; C.I. ACID RED 33; Edicol Supra Red 10B; Red 10B; Edicol Supra Red 10BS; C.I. Food Red 12; C.I. Reducing Agent 6; Edicol Supra Red 10 BS; D and C Red No. 33; Red No. 227; 1424 Red; 9DBA0SBB0L; AZOFUCHSIN; CI 17200; C.I. 17200; Disodium 2-phenylazo-3,5-naphthalenedisulfonate; Edicol Supra 10B; D.C. Red No. 33; Edicol Supra 10BS; disodium;5-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate; 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2); D & C Red no. 33; C.I. Red 33, disodium salt; NSC 5004; EINECS 222-656-9; NSC 12190; CCRIS 8575; Disodium 5-amino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate; 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(phenylazo)-, disodium salt; D And C Red No 33; SCHEMBL186094; DTXSID1044562; C16H11N3O7S2.2Na; Acid Red 33, analytical standard; 6315AF; 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-phenylazo-, disodium salt; 5-Amino-4-hydroxy-3-(phenylazo)-2,7-naphthalenedisulfonic acid, disodium salt; AKOS024429575; C.I. Acid Red 33, disodium salt (8CI); ACID RED 33 (C.I. 17200); C20346; Q5203006; DISODIUM 5-AMINO-4-HYDROXY-3-(PHENYLAZO)NAPHTHALENE-2,7-DISULFONATE; sodium (E)-5-amino-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate; 4-Amino-5-oxo-6-(2-phenylhydrazono)-5,6-dihydro-2,7-naphthalenedisulfonic acid disodium salt
DIG Function	Colorant
PubChem CID	19116
Formula	C16H13N3O7S2
Canonical SMILES	C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+]
InChI	1S/C16H13N3O7S2.2Na/c17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10;;/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChIKey	LQJVOKWHGUAUHK-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=19116"></iframe>
Structure	3D MOL is not available		2D MOL
Physicochemical Properties	Molecular Weight	467.4	Topological Polar Surface Area	202
	XlogP	N.A.	Complexity	757
	Heavy Atom Count	30	Rotatable Bond Count	4
	Hydrogen Bond Donor Count	2	Hydrogen Bond Acceptor Count	10

Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
ICD Disease Classification 01		Infectious/parasitic disease	Click to Show/Hide
Minocycline	API Info	Streptococcus bacterial infection [ICD-11: 1C41]		[1]
Acyclovir	API Info	Herpes zoster [ICD-11: 1E91]		[2]
Didanosine	API Info	Human immunodeficiency virus infection [ICD-11: 1C60]		[3]
ICD Disease Classification 02		Benign/in-situ/malignant neoplasm	Click to Show/Hide
Hydroxyurea	API Info	Chronic myelogenous leukaemia [ICD-11: 2A20]		[4]
Propoxyphene	API Info	Lung cancer [ICD-11: 2C25]		[5]
ICD Disease Classification 05		Endocrine/nutritional/metabolic disease	Click to Show/Hide
Phentermine	API Info	Obesity [ICD-11: 5B81]		[6]
ICD Disease Classification 06		Mental/behavioural/neurodevelopmental disorder	Click to Show/Hide
Amitriptyline	API Info	Major depressive disorder [ICD-11: 6A70]		[7]
Hydroxyzine	API Info	Anxiety disorder [ICD-11: 6B00]		[8]
Dexmethylphenidate	API Info	Attention deficit hyperactivity disorder [ICD-11: 6A05]		[9]
Atomoxetine	API Info	Attention deficit hyperactivity disorder [ICD-11: 6A05]		[10]
Loxapine	API Info	Schizophrenia [ICD-11: 6A20]		[11]
Chlordiazepoxide	API Info	Anxiety disorder [ICD-11: 6B00]		[12]
Clomipramine	API Info	Obsessive-compulsive disorder [ICD-11: 6B20]		[13]
ICD Disease Classification 07		Sleep-wake disorder	Click to Show/Hide
Dextroamphetamine	API Info	Narcolepsy [ICD-11: 7A20]		[14]
ICD Disease Classification 08		Nervous system disease	Click to Show/Hide
Acetaminophen	API Info	Anaesthesia [ICD-11: 8E22]		[15]
Phenytoin	API Info	Epilepsy [ICD-11: 8A60]		[16]
ICD Disease Classification 09		Visual system disease	Click to Show/Hide
Dextromethorphan	API Info	Allergic conjunctivitis [ICD-11: 9A60]		[17]
ICD Disease Classification 10		Ear/mastoid process disease	Click to Show/Hide
Diphenhydramine	API Info	Meniere disease [ICD-11: AB31]		[18]
Amoxicillin	API Info	Acute otitis media [ICD-11: AB00]		[19]
ICD Disease Classification 11		Circulatory system disease	Click to Show/Hide
Ramipril	API Info	Essential hypertension [ICD-11: BA00]		[20]
Verapamil	API Info	Essential hypertension [ICD-11: BA00]		[21]
Isosorbide dinitrate	API Info	Angina pectoris [ICD-11: BA40]		[22]
Nitroglycerin	API Info	Acute coronary syndrome [ICD-11: BA4Z]		[23]
Metolazone	API Info	Congestive heart failure [ICD-11: BD10]		[24]
Disopyramide	API Info	Ventricular tachyarrhythmia [ICD-11: BC71]		[25]
Triamterene	API Info	Essential hypertension [ICD-11: BA00]		[26]
Phenoxybenzamine	API Info	Essential hypertension [ICD-11: BA00]		[27]
ICD Disease Classification 12		Respiratory system disease	Click to Show/Hide
Fexofenadine	API Info	Allergic rhinitis [ICD-11: CA08]		[28]
Cefdinir	API Info	Pneumocystis pneumonia [ICD-11: CA40]		[29]
Budesonide	API Info	Allergic rhinitis [ICD-11: CA08]		[30]
ICD Disease Classification 13		Digestive system disease	Click to Show/Hide
Lansoprazole	API Info	Duodenal ulcer [ICD-11: DA63]		[31]
Simethicone	API Info	Irritable bowel syndrome [ICD-11: DD91]		[32]
Tacrolimus	API Info	Ulcerative colitis [ICD-11: DD71]		[33]
ICD Disease Classification 14		Skin disease	Click to Show/Hide
Clindamycin	API Info	Acne vulgaris [ICD-11: ED80]		[34]
ICD Disease Classification 15		Musculoskeletal/connective-tissue disease	Click to Show/Hide
Celecoxib	API Info	Rheumatoid arthritis [ICD-11: FA20]		[35]
Etodolac	API Info	Rheumatoid arthritis [ICD-11: FA20]		[36]
Piroxicam	API Info	Rheumatoid arthritis [ICD-11: FA20]		[37]
Auranofin	API Info	Rheumatoid arthritis [ICD-11: FA20]		[38]
ICD Disease Classification 16		Genitourinary system disease	Click to Show/Hide
Terazosin	API Info	Prostatic hyperplasia [ICD-11: GA90]		[39]
Nitrofurantoin	API Info	Infectious cystitis [ICD-11: GC00]		[40]

Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
Hydrolase (HDase)
DBT Name: Autotaxin (ENPP2)		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 = 1260 nM (estimated based on the structural similarity with CHEMBL1091752 )		[41]
Structural Similarity	Tanimoto coefficient = 0.911111111
Tested Species	Homo sapiens (Human)
UniProt ID	ENPP2_HUMAN
Potential-driven transporter (PDT)
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 = 60.9 % (tested by experiment)		[42]
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 = 58.1 uM (tested by experiment)		[42]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN

References
1	FDA label for approved minocycline from the official website of the U.S. Food and Drug Administration.
2	FDA label for approved acyclovir from the official website of the U.S. Food and Drug Administration.
3	FDA label for approved didanosine from the official website of the U.S. Food and Drug Administration.
4	FDA label for approved hydroxyurea from the official website of the U.S. Food and Drug Administration.
5	FDA label for approved propoxyphene from the official website of the U.S. Food and Drug Administration.
6	FDA label for approved phentermine from the official website of the U.S. Food and Drug Administration.
7	FDA label for approved amitriptyline from the official website of the U.S. Food and Drug Administration.
8	FDA label for approved hydroxyzine from the official website of the U.S. Food and Drug Administration.
9	FDA label for approved dexmethylphenidate from the official website of the U.S. Food and Drug Administration.
10	FDA label for approved atomoxetine from the official website of the U.S. Food and Drug Administration.
11	FDA label for approved loxapine from the official website of the U.S. Food and Drug Administration.
12	FDA label for approved chlordiazepoxide from the official website of the U.S. Food and Drug Administration.
13	FDA label for approved clomipramine from the official website of the U.S. Food and Drug Administration.
14	FDA label for approved dextroamphetamine from the official website of the U.S. Food and Drug Administration.
15	FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
16	FDA label for approved phenytoin from the official website of the U.S. Food and Drug Administration.
17	FDA label for approved dextromethorphan from the official website of the U.S. Food and Drug Administration.
18	FDA label for approved diphenhydramine from the official website of the U.S. Food and Drug Administration.
19	FDA label for approved amoxicillin from the official website of the U.S. Food and Drug Administration.
20	FDA label for approved ramipril from the official website of the U.S. Food and Drug Administration.
21	FDA label for approved verapamil from the official website of the U.S. Food and Drug Administration.
22	FDA label for approved isosorbide dinitrate from the official website of the U.S. Food and Drug Administration.
23	FDA label for approved nitroglycerin from the official website of the U.S. Food and Drug Administration.
24	FDA label for approved metolazone from the official website of the U.S. Food and Drug Administration.
25	FDA label for approved disopyramide from the official website of the U.S. Food and Drug Administration.
26	FDA label for approved triamterene from the official website of the U.S. Food and Drug Administration.
27	FDA label for approved phenoxybenzamine from the official website of the U.S. Food and Drug Administration.
28	FDA label for approved fexofenadine from the official website of the U.S. Food and Drug Administration.
29	FDA label for approved cefdinir from the official website of the U.S. Food and Drug Administration.
30	FDA label for approved budesonide from the official website of the U.S. Food and Drug Administration.
31	FDA label for approved lansoprazole from the official website of the U.S. Food and Drug Administration.
32	FDA label for approved simethicone from the official website of the U.S. Food and Drug Administration.
33	FDA label for approved tacrolimus from the official website of the U.S. Food and Drug Administration.
34	FDA label for approved clindamycin from the official website of the U.S. Food and Drug Administration.
35	FDA label for approved celecoxib from the official website of the U.S. Food and Drug Administration.
36	FDA label for approved etodolac from the official website of the U.S. Food and Drug Administration.
37	FDA label for approved piroxicam from the official website of the U.S. Food and Drug Administration.
38	FDA label for approved auranofin from the official website of the U.S. Food and Drug Administration.
39	FDA label for approved terazosin from the official website of the U.S. Food and Drug Administration.
40	FDA label for approved nitrofurantoin from the official website of the U.S. Food and Drug Administration.
41	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors. J Med Chem. 2010 Apr 22; 53(8):3095-105.
42	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.

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