Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0V6QI)
DIG Name	methylparaben
Synonyms	Click to Show/Hide the Synonyms of This DIG Methyl 4-hydroxybenzoate; METHYLPARABEN; 99-76-3; Methyl paraben; Methyl p-hydroxybenzoate; Nipagin; Methyl parahydroxybenzoate; Maseptol; p-Hydroxybenzoic acid methyl ester; p-Methoxycarbonylphenol; 4-Hydroxybenzoic acid methyl ester; Benzoic acid, 4-hydroxy-, methyl ester; p-Carbomethoxyphenol; Tegosept M; Methaben; Metoxyde; Preserval; Metaben; Moldex; Paridol; Septos; Solbrol; Methyl parasept; Methyl butex; Methyl chemosept; Nipagin M; Aseptoform; Methylben; Abiol; Methyl-p-hydroxybenzoate; Preserval M; Solbrol M; 4-(Methoxycarbonyl)phenol; Methyl p-oxybenzoate; 4-Hydroxybenzoic acid, methyl ester; Methyl ester of p-hydroxybenzoic acid; p-Oxybenzoesauremethylester; MFCD00002352; FEMA No. 2710; Benzoic acid, p-hydroxy-, methyl ester; UNII-A2I8C7HI9T; NSC 3827; p-Hydroxybenzoic acid, methyl ester; p-Hydroxybenzoic methyl ester; 4-HYDROXY-BENZOIC ACID METHYL ESTER; Methylester kyseliny p-hydroxybenzoove; A2I8C7HI9T; CHEMBL325372; CHEBI:31835; NCGC00159376-02; NCGC00159376-04; E218; DSSTox_CID_2529; WLN: QR DVO1; DSSTox_RID_76616; DSSTox_GSID_22529; Methyl 4-hydroxybenzoate, 99%; Caswell No. 573PP; FEMA Number 2710; CAS-99-76-3; SMR000036660; CCRIS 3946; HSDB 1184; p-Oxybenzoesauremethylester [German]; EINECS 202-785-7; methyl 4- hydroxybenzoate; Methylparaben [USAN:NF]; EPA Pesticide Chemical Code 061201; BRN 0509801; Metagin; METHYL4-HYDROXYBENZOATE; AI3-01336; Lexgard M; Paraben M; Methylester kyseliny p-hydroxybenzoove [Czech]; Methylparaben, NF; Methylparaben, FCC; 4-carbomethoxyphenol; Methylparaben (NF); Methylparaben (TN); INS number 218; Solparol (Salt/Mix); 4-hydroxymethylbenzoate; methyl 4-hydoxybenzoate; ACMC-20aiv0; methyl 4 hydroxybenzoate; methyl 4-hydroxylbenzoate; methyl 4-hydroxy-benzoate; methyl-4-hydroxy-benzoate; Methylis parahydroxybenzoas; Preserval MS (Salt/Mix); bmse010009; EC 202-785-7; methyl (4-hydroxy)benzoate; cid_7456; SCHEMBL4440; MLS001304047; MLS001304187; ARONIS27185; BIDD:ER0241; COC(=O)c1ccc([O])cc1; 4-hydroxybenzoate methyl ester; Methyl 4-Hydroxybenzoate,(S); INS No. 218; AMY901; GTPL6273; ZINC1712; Methyl parahydroxybenzoate (TN); RARECHEM AL BF 0098; DTXSID4022529; FEMA 2710; TIMTEC-BB SBB040908; 4-Hydroxybenzoic acid methylester; methyl 4-hydroxybenzenecarboxylate; NSC3827; OTAVA-BB 1310956; 4-Hydroxybenzoic acid-methyl ester; HMS2883I08; LABOTEST-BB LTBB002210; Methyl Paraben, analytical standard; Methyl parahydroxybenzoate (JP17); 4-hydroxy benzoic acid methyl ester; CS-D1181; HY-N0349; METHYL PARA HYDROXY BENZOATE; NSC-3827; AKOS BBS-00004393; Tox21_111616; Tox21_202318; Tox21_300009; ANW-75370; BBL005648; BDBM50209100; CK1194; NSC406127; s3985; SBB040908; STK802470; AKOS000119910; Tox21_111616_1; AS01626; CCG-266228; DB14212; MCULE-5368262482; NSC-406127; 4-HYDROXYBENZOIC ACID METYL ESTER; Methyl 4-hydroxybenzoate, >=99%, FCC; NCGC00159376-03; NCGC00159376-05; NCGC00159376-06; NCGC00253939-01; NCGC00259867-01; AK-54335; SY006626; BENZOIC ACID,4-HYDROXY,METHYL ESTER; DB-080628; 216-EP2269989A1; 216-EP2279750A1; 216-EP2287158A1; 216-EP2289879A1; 216-EP2289893A1; 216-EP2295426A1; 216-EP2295427A1; 216-EP2295439A1; 216-EP2305668A1; 216-EP2305673A1; 216-EP2308838A1; 216-EP2308877A1; 216-EP2311834A1; BB 0263150; E 218; FT-0618697; FT-0672044; M2206; Methyl 4-hydroxybenzoate, analytical standard; Methyl 4-hydroxybenzoate, p.a., 98-102%; ST50214511; (2,2-DIMETHYLDIOXALANE)METHYL BUTYRATE; D01400; M-6148; 62345-EP2272817A1; 62345-EP2281817A1; 62345-EP2308828A2; 62345-EP2308839A1; 62345-EP2371808A1; Methyl 4-hydroxybenzoate, USP, 98.0-102.0%; 108078-EP2272843A1; 108078-EP2281817A1; 108078-EP2287155A1; 108078-EP2295414A1; 108078-EP2298746A1; Q229987; Q-200479; Methyl 4-hydroxybenzoate, SAJ first grade, >=98.0%; Methyl 4-hydroxybenzoate, tested according to Ph.Eur.; Z19674820; F1908-0119; Methyl 4-hydroxybenzoate, BioXtra, >=99.0% (titration); Methylparaben, certified reference material, TraceCERT(R); UNII-AZF98361GV component LXCFILQKKLGQFO-UHFFFAOYSA-N; 4-Hydroxybenzoic acid-methyl ester 1000 microg/mL in Acetonitrile; Methyl 4-hydroxybenzoate, ReagentPlus(R), >=99.0%, crystalline; Methylparaben, United States Pharmacopeia (USP) Reference Standard; Methyl 4-hydroxybenzoate, BioReagent, suitable for insect cell culture; Methyl parahydroxybenzoate, European Pharmacopoeia (EP) Reference Standard; Methylparaben, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function	Antimicrobial preservative
PubChem CID	7456
Formula	C8H8O3
Canonical SMILES	COC(=O)C1=CC=C(C=C1)O
InChI	1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKey	LXCFILQKKLGQFO-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=7456"></iframe>
Structure	3D MOL		2D MOL
Physicochemical Properties	Molecular Weight	152.15	Topological Polar Surface Area	46.5
	XlogP	2	Complexity	136
	Heavy Atom Count	11	Rotatable Bond Count	2
	Hydrogen Bond Donor Count	1	Hydrogen Bond Acceptor Count	3

Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
ICD Disease Classification 01		Infectious/parasitic disease	Click to Show/Hide
Amantadine	API Info	Influenza virus infection [ICD-11: 1E30]		[1]
Tetracycline	API Info	Spotted fever [ICD-11: 1C31]		[2]
Flucytosine	API Info	Cryptococcosis [ICD-11: 1F27]		[3]
Griseofulvin	API Info	Dermatophytosis [ICD-11: 1F28]		[4]
Crofelemer	API Info	Human immunodeficiency virus infection [ICD-11: 1C60]		[5]
ICD Disease Classification 02		Benign/in-situ/malignant neoplasm	Click to Show/Hide
Temozolomide	API Info	Brain cancer [ICD-11: 2A00]		[6]
Hydroxyurea	API Info	Chronic myelogenous leukaemia [ICD-11: 2A20]		[7]
Exemestane	API Info	Breast cancer [ICD-11: 2C60]		[8]
Procarbazine	API Info	Hodgkin lymphoma [ICD-11: 2B30]		[9]
ICD Disease Classification 05		Endocrine/nutritional/metabolic disease	Click to Show/Hide
Ergocalciferol	API Info	Hypoparathyroidism [ICD-11: 5A50]		[10]
Fluvastatin	API Info	Hypertriglyceridaemia [ICD-11: 5C80]		[11]
Gemfibrozil	API Info	Hypertriglyceridaemia [ICD-11: 5C80]		[12]
Zinc acetate	API Info	Hyperphosphatemia [ICD-11: 5C64]		[13]
ICD Disease Classification 06		Mental/behavioural/neurodevelopmental disorder	Click to Show/Hide
Fluoxetine	API Info	Major depressive disorder [ICD-11: 6A70]		[14]
Nortriptyline	API Info	Major depressive disorder [ICD-11: 6A70]		[15]
Imipramine	API Info	Major depressive disorder [ICD-11: 6A70]		[16]
Chlorpromazine	API Info	Schizophrenia [ICD-11: 6A20]		[17]
Loxapine	API Info	Schizophrenia [ICD-11: 6A20]		[18]
Chlordiazepoxide	API Info	Anxiety disorder [ICD-11: 6B00]		[19]
Clomipramine	API Info	Obsessive-compulsive disorder [ICD-11: 6B20]		[20]
Trimipramine	API Info	Major depressive disorder [ICD-11: 6A70]		[21]
Oxazepam	API Info	Anxiety disorder [ICD-11: 6B00]		[22]
Cycloserine	API Info	Dementia [ICD-11: 6D8Z]		[23]
ICD Disease Classification 07		Sleep-wake disorder	Click to Show/Hide
Temazepam	API Info	Insomnia [ICD-11: 7A00]		[24]
ICD Disease Classification 08		Nervous system disease	Click to Show/Hide
Acetaminophen	API Info	Anaesthesia [ICD-11: 8E22]		[25]
Valproic acid	API Info	Epilepsy [ICD-11: 8A60]		[26]
Oxymorphone	API Info	Anaesthesia [ICD-11: 8E22]		[27]
Phenytoin	API Info	Epilepsy [ICD-11: 8A60]		[28]
Methylergonovine	API Info	Migraine [ICD-11: 8A80]		[29]
Ethosuximide	API Info	Epilepsy [ICD-11: 8A60]		[30]
ICD Disease Classification 10		Ear/mastoid process disease	Click to Show/Hide
Diphenhydramine	API Info	Meniere disease [ICD-11: AB31]		[31]
Amoxicillin	API Info	Acute otitis media [ICD-11: AB00]		[32]
ICD Disease Classification 11		Circulatory system disease	Click to Show/Hide
Diltiazem	API Info	Essential hypertension [ICD-11: BA00]		[33]
Aspirin	API Info	Myocardial infarction [ICD-11: BA41]		[34]
Verapamil	API Info	Essential hypertension [ICD-11: BA00]		[35]
Nifedipine	API Info	Angina pectoris [ICD-11: BA40]		[36]
Labetalol	API Info	Essential hypertension [ICD-11: BA00]		[37]
Dipyridamole	API Info	Atherosclerosis [ICD-11: BA80]		[38]
Disopyramide	API Info	Ventricular tachyarrhythmia [ICD-11: BC71]		[39]
ICD Disease Classification 12		Respiratory system disease	Click to Show/Hide
Benzonatate	API Info	Asthma [ICD-11: CA23]		[40]
Chlorpheniramine	API Info	Allergic rhinitis [ICD-11: CA08]		[41]
Ceftibuten	API Info	Bronchitis [ICD-11: CA20]		[42]
ICD Disease Classification 13		Digestive system disease	Click to Show/Hide
Bisacodyl	API Info	Irritable bowel syndrome [ICD-11: DD91]		[43]
ICD Disease Classification 14		Skin disease	Click to Show/Hide
Isotretinoin	API Info	Acne vulgaris [ICD-11: ED80]		[44]
ICD Disease Classification 16		Genitourinary system disease	Click to Show/Hide
Ibuprofen	API Info	Dysmenorrhea [ICD-11: GA34]		[45]
Oxybutynin	API Info	Overactive bladder [ICD-11: GC50]		[46]
ICD Disease Classification 20		Developmental anomaly	Click to Show/Hide
Calcitriol	API Info	Congenital alopecia [ICD-11: LC30]		[47]

Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
Lyase/isomerase/ligase (L/I/G)
DBT Name: Carbonic anhydrase I (CA1)		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 = 2600 nM (tested by experiment)		[48]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH1_HUMAN
DBT Name: Carbonic anhydrase II (CA2)		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 = 3400 nM (tested by experiment)		[48]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
DBT Name: Carbonic anhydrase IX (CA9)		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 = 5500 nM (tested by experiment)		[48]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH9_HUMAN
DBT Name: Carbonic anhydrase VII (CA7)		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 = 780 nM (tested by experiment)		[48]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH7_HUMAN
DBT Name: Carbonic anhydrase XII (CA12)		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 = 820 nM (tested by experiment)		[48]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH12_HUMAN
DBT Name: Carbonic anhydrase XIV (CA14)		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 = 4100 nM (tested by experiment)		[48]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH14_HUMAN
Nuclear receptor (NR)
DBT Name: Androgen receptor (AR)		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 > 426579.52 nM (tested by experiment)		[49]
Tested Species	Rattus norvegicus (Rat)
UniProt ID	ANDR_RAT
Cell line (CELL)
DBT Name: Lung cancer A-549 cells (A-549)		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 > 20 ug.mL-1 (tested by experiment)		[50]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0023
DBT Name: Hepatoblastoma HepG2 cells (HepG2)		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 > 20 ug.mL-1 (tested by experiment)		[50]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0027
DBT Name: Cervical cancer KB cells (KB)		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 > 200000 nM (tested by experiment)		[51]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0372
DBT Name: Carcinoma MDA-MB-231 cells (MDA-MB-231)		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 > 20 ug.mL-1 (tested by experiment)		[50]
Tested Species	Homo sapiens (Human)
Cellosaurus ID	CVCL_0062

References
1	FDA label for approved amantadine from the official website of the U.S. Food and Drug Administration.
2	FDA label for approved tetracycline from the official website of the U.S. Food and Drug Administration.
3	FDA label for approved flucytosine from the official website of the U.S. Food and Drug Administration.
4	FDA label for approved griseofulvin from the official website of the U.S. Food and Drug Administration.
5	FDA label for approved crofelemer from the official website of the U.S. Food and Drug Administration.
6	FDA label for approved temozolomide from the official website of the U.S. Food and Drug Administration.
7	FDA label for approved hydroxyurea from the official website of the U.S. Food and Drug Administration.
8	FDA label for approved exemestane from the official website of the U.S. Food and Drug Administration.
9	FDA label for approved procarbazine from the official website of the U.S. Food and Drug Administration.
10	FDA label for approved ergocalciferol from the official website of the U.S. Food and Drug Administration.
11	FDA label for approved fluvastatin from the official website of the U.S. Food and Drug Administration.
12	FDA label for approved gemfibrozil from the official website of the U.S. Food and Drug Administration.
13	FDA label for approved zinc acetate from the official website of the U.S. Food and Drug Administration.
14	FDA label for approved fluoxetine from the official website of the U.S. Food and Drug Administration.
15	FDA label for approved nortriptyline from the official website of the U.S. Food and Drug Administration.
16	FDA label for approved imipramine from the official website of the U.S. Food and Drug Administration.
17	FDA label for approved chlorpromazine from the official website of the U.S. Food and Drug Administration.
18	FDA label for approved loxapine from the official website of the U.S. Food and Drug Administration.
19	FDA label for approved chlordiazepoxide from the official website of the U.S. Food and Drug Administration.
20	FDA label for approved clomipramine from the official website of the U.S. Food and Drug Administration.
21	FDA label for approved trimipramine from the official website of the U.S. Food and Drug Administration.
22	FDA label for approved oxazepam from the official website of the U.S. Food and Drug Administration.
23	FDA label for approved cycloserine from the official website of the U.S. Food and Drug Administration.
24	FDA label for approved temazepam from the official website of the U.S. Food and Drug Administration.
25	FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
26	FDA label for approved valproic acid from the official website of the U.S. Food and Drug Administration.
27	FDA label for approved oxymorphone from the official website of the U.S. Food and Drug Administration.
28	FDA label for approved phenytoin from the official website of the U.S. Food and Drug Administration.
29	FDA label for approved methylergonovine from the official website of the U.S. Food and Drug Administration.
30	FDA label for approved ethosuximide from the official website of the U.S. Food and Drug Administration.
31	FDA label for approved diphenhydramine from the official website of the U.S. Food and Drug Administration.
32	FDA label for approved amoxicillin from the official website of the U.S. Food and Drug Administration.
33	FDA label for approved diltiazem from the official website of the U.S. Food and Drug Administration.
34	FDA label for approved aspirin from the official website of the U.S. Food and Drug Administration.
35	FDA label for approved verapamil from the official website of the U.S. Food and Drug Administration.
36	FDA label for approved nifedipine from the official website of the U.S. Food and Drug Administration.
37	FDA label for approved labetalol from the official website of the U.S. Food and Drug Administration.
38	FDA label for approved dipyridamole from the official website of the U.S. Food and Drug Administration.
39	FDA label for approved disopyramide from the official website of the U.S. Food and Drug Administration.
40	FDA label for approved benzonatate from the official website of the U.S. Food and Drug Administration.
41	FDA label for approved chlorpheniramine from the official website of the U.S. Food and Drug Administration.
42	FDA label for approved ceftibuten 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 isotretinoin from the official website of the U.S. Food and Drug Administration.
45	FDA label for approved ibuprofen from the official website of the U.S. Food and Drug Administration.
46	FDA label for approved oxybutynin from the official website of the U.S. Food and Drug Administration.
47	FDA label for approved calcitriol from the official website of the U.S. Food and Drug Administration.
48	Mono-/dihydroxybenzoic acid esters and phenol pyridinium derivatives as inhibitors of the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. Bioorg Med Chem. 2013 Mar 15; 21(6):1564-9.
49	Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. J Med Chem. 2005 Sep 8; 48(18):5666-74.
50	Bioactive Phenolic Components from the Twigs of Atalantia buxifolia. J Nat Prod. 2018 Jul 27; 81(7):1534-1539.
51	Synthesis and biological evaluation of 12 allenic aromatic ethers. Bioorg Med Chem Lett. 2007 May 15; 17(10):2785-8.

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