Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E01VHX)
DIG Name	D&C red no. 30
Synonyms	Click to Show/Hide the Synonyms of This DIG Oralith Brilliant Pink R; Vat red 1; 2379-74-0; D&C Red No. 30; D and C Red No. 30; UNII-2S42T2808B; 2S42T2808B; 4,4'-dimethyl-6,6'-dichlorthioindigo; CI 73360; 5,5'-Dichloro-3,3'-dimethyl-thioindigo; (2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one; Permanent Pink; Helindon Pink R; Fenidon Pink R; 6,6'-Dichloro-4,4'-dimethyl-3H,3'H-[2,2'-bibenzo[b]thiophenylidene]-3,3'-dione; Calcophyl Red FF; Indanthren Brilliant Pink R; Fast Pink Y; Ahcovat Pink FFD; Ciba Pink FF; Daltolite Pink FF; Durindone Pink FF; Helindone Pink CN; Helanthrene Pink R; 52641-31-3; Benzo(b)thiophen-3(2H)-one, 6-chloro-2-(6-chloro-4-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-4-ethyl-; Benzo(b)thiophen-3(2H)-one, 6-chloro-2-(6-chloro-4-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-4-methyl-; Benzo[b]thiophen-3(2H)-one, 6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methyl-; Calophyl Pink ZFF; Amanthrene Pink FF; Calcoloid Pink FFC; Calcoloid Pink FFD; Amanthrene Pink FFD; Calcoloid Pink FFRP; Amanthrene Pink FFWP; Vat Printing Pink FF; Durindone Pink FF-FA; Tina Brilliant Pink R; Ciba Brilliant Pink FR; Fenanthren Pink R Spura; Lithosol Fast Pink SVP; Ahcovat Printing Pink FF; Paradone Brilliant PNK R; Hostavat Brilliant Pink R; Durindone Printing Pink FF; Tyrian Brilliant Pink I-R; Fenanthren Brilliant Pink R; Mikethrene Brilliant Pink R; Nyanthrene Brilliant Pink R; Calcoloid Printing Pink FFE; Chemithrene Brilliant Pink R; Helanthrene Brilliant Pink R; Indanthren Brilliant Pink RB; Indanthren Brilliant Pink RP; Indanthren Brilliant Pink RS; Nihonthrene Brilliant Pink R; Palanthrene Brilliant Pink R; Romantrene Brilliant Pink FR; Sandothrene Brilliant Pink R; Solanthrene Brilliant Pink R; Thioindigo Brilliant Pink ZH; Sandothrene Brilliant Pink IR; Solanthrene Brilliant Pink RF; Thioindigo Brilliant Pink ZHP; C18H10Cl2O2S2; 11484 Red; 6,6'-DICHLORO-4,4'-DIMETHYL-(2,2')BI(BENZO(B)THIOPHENYLIDENE)-3,3'-DIONE; EINECS 219-163-6; Pigment Red 181; Japan Red 226; Dye Red No. 30; Dye dc Red No. 30; Vat Red 1 [INCI]; C.I. 73360; DC Red No. 30; EC 219-163-6; AKA226 [INCI]; RED 30 [INCI]; AKA226; RED 30; SCHEMBL1073120; D&C Red No. 30 [II]; CI 73360 [INCI]; (delta,(sup 2,2'(3H,3'H))-Bibenzo(b)thiophene)-3,3'-dione, 6,6'-dichloro-4,4'-dimethyl- (8CI); ZINC4529848; MFCD00059165; STK075306; AKOS025310815; CI73360; 6,6'-Dichloro-4,4'-Dimethylthioindigo; CI-73360; T938; R-226; Q27255530; VAT RED 1 (HOSTAVAT BRILLIANT PINK R CONC.); (E)-6,6'-Dichloro-4,4'-dimethyl-3H,3'H-[2,2'-bibenzo[b]thiophenylidene]-3,3'-dione; 6,6'-Dichloro-4,4'-dimethyl-3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione; (2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2(3H)-ylidene)-4-methyl-1-benzothiophen-3(2H)-one; (2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-benzothiophen-2-ylidene)-4-methyl-benzothiophen-3-one; 6-Chloro-2-(6-chloro-4-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-4- -methylbenzo(b)thiophen-3(2H)-one; 6-Chloro-2-(6-chloro-4-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-4-methyl-benzo(b)thiophen-3(2H)-one; 6-Chloro-2-(6-chloro-4-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-4-methylbenzo(b)thiophene-3(2H)-one; Benzo(b)thiophen-3(2H)-one, 6-chloro-2-(6-chloro-4-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-4- -methyl-
DIG Function	Colorant
PubChem CID	3000709
Formula	C18H10Cl2O2S2
Canonical SMILES	CC1=CC(=CC2=C1C(=O)/C(=C\\3/C(=O)C4=C(S3)C=C(C=C4C)Cl)/S2)Cl
InChI	1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3/b18-17+
InChIKey	NDDLLTAIKYHPOD-ISLYRVAYSA-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=3000709"></iframe>
Structure	3D MOL		2D MOL
Physicochemical Properties	Molecular Weight	393.3	Topological Polar Surface Area	84.7
	XlogP	6.1	Complexity	568
	Heavy Atom Count	24	Rotatable Bond Count	0
	Hydrogen Bond Donor Count	0	Hydrogen Bond Acceptor Count	4

Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
ICD Disease Classification 01		Infectious/parasitic disease	Click to Show/Hide
Azithromycin	API Info	Congenital syphilis [ICD-11: 1A60]		[1]
Albendazole	API Info	Cysticercosis [ICD-11: 1F70]		[2]
ICD Disease Classification 05		Endocrine/nutritional/metabolic disease	Click to Show/Hide
Levothroid	API Info	Hypothyroidism [ICD-11: 5A00]		[3]
Lovastatin	API Info	Hypertriglyceridaemia [ICD-11: 5C80]		[4]
Benzphetamine	API Info	Obesity [ICD-11: 5B81]		[5]
ICD Disease Classification 06		Mental/behavioural/neurodevelopmental disorder	Click to Show/Hide
Alprazolam	API Info	Anxiety disorder [ICD-11: 6B00]		[6]
Amitriptyline	API Info	Major depressive disorder [ICD-11: 6A70]		[7]
Paroxetine	API Info	Major depressive disorder [ICD-11: 6A70]		[8]
Imipramine	API Info	Major depressive disorder [ICD-11: 6A70]		[9]
Desipramine	API Info	Attention deficit hyperactivity disorder [ICD-11: 6A05]		[10]
Haloperidol	API Info	Schizophrenia [ICD-11: 6A20]		[11]
Chlorpromazine	API Info	Schizophrenia [ICD-11: 6A20]		[12]
Fluphenazine	API Info	Schizophrenia [ICD-11: 6A20]		[13]
Trifluoperazine	API Info	Schizophrenia [ICD-11: 6A20]		[14]
Clomipramine	API Info	Obsessive-compulsive disorder [ICD-11: 6B20]		[15]
ICD Disease Classification 07		Sleep-wake disorder	Click to Show/Hide
Zolpidem	API Info	Insomnia [ICD-11: 7A00]		[16]
ICD Disease Classification 08		Nervous system disease	Click to Show/Hide
Acetaminophen	API Info	Anaesthesia [ICD-11: 8E22]		[17]
Morphine	API Info	Anaesthesia [ICD-11: 8E22]		[18]
Oxycodone	API Info	Anaesthesia [ICD-11: 8E22]		[19]
Valproic acid	API Info	Epilepsy [ICD-11: 8A60]		[20]
Propranolol	API Info	Migraine [ICD-11: 8A80]		[21]
Ropinirole	API Info	Parkinsonism [ICD-11: 8A00]		[22]
Carbamazepine	API Info	Epilepsy [ICD-11: 8A60]		[23]
Clonazepam	API Info	Epilepsy [ICD-11: 8A60]		[24]
Oxymorphone	API Info	Anaesthesia [ICD-11: 8E22]		[25]
Phenytoin	API Info	Epilepsy [ICD-11: 8A60]		[26]
Galantamine	API Info	Alzheimer disease [ICD-11: 8A20]		[27]
Hydromorphone	API Info	Anaesthesia [ICD-11: 8E22]		[28]
ICD Disease Classification 10		Ear/mastoid process disease	Click to Show/Hide
Diphenhydramine	API Info	Meniere disease [ICD-11: AB31]		[29]
Amoxicillin	API Info	Acute otitis media [ICD-11: AB00]		[30]
ICD Disease Classification 11		Circulatory system disease	Click to Show/Hide
Aspirin	API Info	Myocardial infarction [ICD-11: BA41]		[31]
Metoprolol	API Info	Essential hypertension [ICD-11: BA00]		[32]
Warfarin	API Info	Atrial fibrillation [ICD-11: BC81]		[33]
Verapamil	API Info	Essential hypertension [ICD-11: BA00]		[34]
Doxazosin	API Info	Essential hypertension [ICD-11: BA00]		[35]
Isosorbide mononitrate	API Info	Angina pectoris [ICD-11: BA40]		[36]
Dipyridamole	API Info	Atherosclerosis [ICD-11: BA80]		[37]
Metolazone	API Info	Congestive heart failure [ICD-11: BD10]		[38]
Indapamide	API Info	Essential hypertension [ICD-11: BA00]		[39]
Pentoxifylline	API Info	Intermittent claudication [ICD-11: BD40]		[40]
ICD Disease Classification 12		Respiratory system disease	Click to Show/Hide
Guaifenesin	API Info	Asthma [ICD-11: CA23]		[41]
Promethazine	API Info	Allergic rhinitis [ICD-11: CA08]		[42]
ICD Disease Classification 13		Digestive system disease	Click to Show/Hide
Bisacodyl	API Info	Irritable bowel syndrome [ICD-11: DD91]		[43]
Simethicone	API Info	Irritable bowel syndrome [ICD-11: DD91]		[44]
Ranitidine	API Info	Gastric ulcer [ICD-11: DA60]		[45]
Bismuth subsalicylate	API Info	Irritable bowel syndrome [ICD-11: DD91]		[46]
ICD Disease Classification 14		Skin disease	Click to Show/Hide
Isotretinoin	API Info	Acne vulgaris [ICD-11: ED80]		[47]
Demeclocycline	API Info	Acne vulgaris [ICD-11: ED80]		[48]
ICD Disease Classification 15		Musculoskeletal/connective-tissue disease	Click to Show/Hide
Conjugated estrogen	API Info	Osteoporosis [ICD-11: FB83]		[49]
ICD Disease Classification 16		Genitourinary system disease	Click to Show/Hide
Ibuprofen	API Info	Dysmenorrhea [ICD-11: GA34]		[50]
Erythromycin	API Info	Pelvic inflammatory disease [ICD-11: GA05]		[51]
ICD Disease Classification 20		Developmental anomaly	Click to Show/Hide
Estradiol	API Info	Turner syndrome [ICD-11: LD50]		[52]

Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
Other protein families (OPF)
DBT Name: Heat shock factor 1 (HSF1)		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 = 9054 nM (estimated based on the structural similarity with CHEMBL1339303 )		[53]
Structural Similarity	Tanimoto coefficient = 0.776859504
Tested Species	Mus musculus (Mouse)
UniProt ID	HSF1_MOUSE
DBT Name: Nuclear factor-kappa B (NFKB)		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 = 122869 nM (estimated based on the structural similarity with CHEMBL1339303 )		[53]
Structural Similarity	Tanimoto coefficient = 0.776859504
Tested Species	Homo sapiens (Human)
UniProt ID	NFKB1_HUMAN ; NFKB2_HUMAN ; TF65_HUMAN

References
1	FDA label for approved azithromycin from the official website of the U.S. Food and Drug Administration.
2	FDA label for approved albendazole from the official website of the U.S. Food and Drug Administration.
3	FDA label for approved levothroid from the official website of the U.S. Food and Drug Administration.
4	FDA label for approved lovastatin from the official website of the U.S. Food and Drug Administration.
5	FDA label for approved benzphetamine from the official website of the U.S. Food and Drug Administration.
6	FDA label for approved alprazolam 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 paroxetine from the official website of the U.S. Food and Drug Administration.
9	FDA label for approved imipramine from the official website of the U.S. Food and Drug Administration.
10	FDA label for approved desipramine from the official website of the U.S. Food and Drug Administration.
11	FDA label for approved haloperidol from the official website of the U.S. Food and Drug Administration.
12	FDA label for approved chlorpromazine from the official website of the U.S. Food and Drug Administration.
13	FDA label for approved fluphenazine from the official website of the U.S. Food and Drug Administration.
14	FDA label for approved trifluoperazine from the official website of the U.S. Food and Drug Administration.
15	FDA label for approved clomipramine from the official website of the U.S. Food and Drug Administration.
16	FDA label for approved zolpidem from the official website of the U.S. Food and Drug Administration.
17	FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
18	FDA label for approved morphine from the official website of the U.S. Food and Drug Administration.
19	Efficacy of oxycodone in neuropathic pain: a randomized trial in postherpetic neuralgia. Neurology. 1998 Jun;50(6):1837-41.
20	FDA label for approved valproic acid from the official website of the U.S. Food and Drug Administration.
21	FDA label for approved propranolol from the official website of the U.S. Food and Drug Administration.
22	FDA label for approved ropinirole from the official website of the U.S. Food and Drug Administration.
23	FDA label for approved carbamazepine from the official website of the U.S. Food and Drug Administration.
24	FDA label for approved clonazepam from the official website of the U.S. Food and Drug Administration.
25	FDA label for approved oxymorphone from the official website of the U.S. Food and Drug Administration.
26	FDA label for approved phenytoin from the official website of the U.S. Food and Drug Administration.
27	FDA label for approved galantamine from the official website of the U.S. Food and Drug Administration.
28	FDA label for approved hydromorphone from the official website of the U.S. Food and Drug Administration.
29	FDA label for approved diphenhydramine from the official website of the U.S. Food and Drug Administration.
30	FDA label for approved amoxicillin from the official website of the U.S. Food and Drug Administration.
31	FDA label for approved aspirin from the official website of the U.S. Food and Drug Administration.
32	FDA label for approved metoprolol from the official website of the U.S. Food and Drug Administration.
33	FDA label for approved warfarin from the official website of the U.S. Food and Drug Administration.
34	FDA label for approved verapamil from the official website of the U.S. Food and Drug Administration.
35	FDA label for approved doxazosin from the official website of the U.S. Food and Drug Administration.
36	FDA label for approved isosorbide mononitrate from the official website of the U.S. Food and Drug Administration.
37	FDA label for approved dipyridamole from the official website of the U.S. Food and Drug Administration.
38	FDA label for approved metolazone from the official website of the U.S. Food and Drug Administration.
39	FDA label for approved indapamide from the official website of the U.S. Food and Drug Administration.
40	FDA label for approved pentoxifylline from the official website of the U.S. Food and Drug Administration.
41	FDA label for approved guaifenesin from the official website of the U.S. Food and Drug Administration.
42	FDA label for approved promethazine from the official website of the U.S. Food and Drug Administration.
43	FDA label for approved bisacodyl from the official website of the U.S. Food and Drug Administration.
44	FDA label for approved simethicone from the official website of the U.S. Food and Drug Administration.
45	FDA label for approved ranitidine from the official website of the U.S. Food and Drug Administration.
46	Bismuth Subsalicylate.
47	FDA label for approved isotretinoin from the official website of the U.S. Food and Drug Administration.
48	FDA label for approved demeclocycline from the official website of the U.S. Food and Drug Administration.
49	FDA label for approved conjugated estrogen from the official website of the U.S. Food and Drug Administration.
50	FDA label for approved ibuprofen from the official website of the U.S. Food and Drug Administration.
51	FDA label for approved erythromycin from the official website of the U.S. Food and Drug Administration.
52	FDA label for approved estradiol from the official website of the U.S. Food and Drug Administration.
53	PubChem BioAssay data set.

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