Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0BI3X)
DIG Name	Aspartame
Synonyms	Click to Show/Hide the Synonyms of This DIG aspartame; 22839-47-0; Nutrasweet; Asp-phe-ome; Asp-Phe methyl ester; Aspartam; Canderel; L-Aspartyl-L-phenylalanine methyl ester; Aspartamo; Aspartamum; Aspartylphenylalanine methyl ester; Sweet dipeptide; Dipeptide sweetener; Methyl aspartylphenylalanate; H-Asp-Phe-OMe; 1-Methyl N-L-alpha-aspartyl-L-phenylalanate; Tri-sweet; methyl L-alpha-aspartyl-L-phenylalaninate; UNII-Z0H242BBR1; Equal; 3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid; (S)-3-Amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid; CHEBI:2877; N-L-alpha-Aspartyl-L-phenylalanine 1-methyl ester; 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester; SC-18862; MFCD00002724; (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid; Z0H242BBR1; N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER; NCGC00091104-02; DSSTox_CID_107; E 951; (S)-3-amino-4-((S)-1-methoxy-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid; DSSTox_RID_75371; DSSTox_GSID_20107; Sanecta; N-L-alpha-Aspartyl-L-phenylalanine methyl ester; Aspartam [INN-French]; Aspartame, L,L-alpha-; Aspartamum [INN-Latin]; Aspartamo [INN-Spanish]; SMR000471870; CAS-22839-47-0; CCRIS 5456; L-Aspartyl-L-phenylalanine methyl ester, 98%; SC 18862; HSDB 3915; Methyl L-aspartyl-L-phenylalanine; EINECS 245-261-3; Methyl L-alpha-aspartyl-L-phenylalanate; Aminosweet; L-Phenylalanine, N-L-alpha-aspartyl-, 1-methyl ester; Palsweet Diet; Methyl N-L-alpha-aspartyl-L-phenylalaninate; 1-Methyl N-L-alpha-aspartyl-L-phenylalanine; Pal Sweet; Aspartame [USAN:INN:BAN:NF]; NCGC00095160-01; DF-OMe; Aspartame (NF/INN); N-(L-a-Aspartyl)-L-phenylalanine methyl ester; Spectrum2_001706; Spectrum3_001949; Epitope ID:164026; 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer; SCHEMBL3636; Succinamic acid, 3-amino-N-(alpha-carboxyphenethyl)-, N-methyl ester, stereoisomer; BSPBio_003549; MLS001066421; MLS001306461; Aspartame, analytical standard; SPECTRUM1505306; L-Phenylalanine, L-alpha-aspartyl-, 2-methyl ester; SPBio_001692; CHEMBL171679; DTXSID0020107; Asp-Phe methyl ester, >=98%; KBio3_002839; aspartyl-phenylalanine methyl ester; HMS1922B16; HMS2093B05; HMS2233D15; Pharmakon1600-01505306; HY-B0361; ZINC1532132; Tox21_111080; Tox21_111459; Tox21_202315; Tox21_302965; CCG-39444; NSC758953; s2036; SBB006713; AKOS015920055; L-Aspartyl-L-phenylalanyl methyl ester; Tert-butylN-(3-formylphenyl)carbamate; Tox21_111080_1; AM84801; Aspartame 1000 microg/mL in Methanol; DB00168; MCULE-7493691716; NSC-758953; alpha-aspartyl-phenylalanine methyl ester; L-aspartyl-L-phenyl-alanine methyl ester; NCGC00091104-01; NCGC00091104-03; NCGC00091104-04; NCGC00091104-05; NCGC00095160-03; NCGC00256407-01; NCGC00259864-01; AC-12293; AS-13889; E951; L-Aspartyl-L-3-phenylalanine methyl ester; SBI-0206757.P001; AB0058040; Asp-Phe methyl ester, >=99.0% (HPLC); A0997; AM20060556; SW219179-1; alpha-L-Aspartyl-L-Phenylalanine Methyl Ester; L-Aspartyl-L-phenylalanine methyl ester, 96%; 39A470; A11698; C11045; D02381; M-4739; AB00376622_08; AB00376622_09; N-L-??-Aspartyl-L-phenylalanine 1-methyl ester; N-(L-alpha-Aspartyl)-L-phenylalanine methyl ester; Q182040; SR-05000001682; J-502447; SR-05000001682-1; BRD-K78841970-001-06-2; Aspartame, European Pharmacopoeia (EP) Reference Standard; Aspartame, United States Pharmacopeia (USP) Reference Standard; (S)-3-amino-n-((s)-1-methoxycarbonyl-2-phenyl-ethyl)-succinamic acid; Aspartame, Pharmaceutical Secondary Standard; Certified Reference Material; (3S)-3-{N-[(1S)-1-(methoxycarbonyl)-2-phenylethyl]carbamoyl}-3-aminopropanoic acid; (3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid; 7421-84-3
DIG Function	Flavoring agent
PubChem CID	134601
Formula	C14H18N2O5
Canonical SMILES	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N
InChI	1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey	IAOZJIPTCAWIRG-QWRGUYRKSA-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=134601"></iframe>
Structure	3D MOL		2D MOL
Physicochemical Properties	Molecular Weight	294.3	Topological Polar Surface Area	119
	XlogP	-2.7	Complexity	380
	Heavy Atom Count	21	Rotatable Bond Count	8
	Hydrogen Bond Donor Count	3	Hydrogen Bond Acceptor Count	6

Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
ICD Disease Classification 01		Infectious/parasitic disease	Click to Show/Hide
Didanosine	API Info	Human immunodeficiency virus infection [ICD-11: 1C60]		[1]
Raltegravir	API Info	Human immunodeficiency virus infection [ICD-11: 1C60]		[2]
Cefixime	API Info	Streptococcus bacterial infection [ICD-11: 1C41]		[3]
ICD Disease Classification 04		Immune system disease	Click to Show/Hide
Cetirizine	API Info	Allergy [ICD-11: 4A80]		[4]
ICD Disease Classification 06		Mental/behavioural/neurodevelopmental disorder	Click to Show/Hide
Risperidone	API Info	Schizophrenia [ICD-11: 6A20]		[5]
Alprazolam	API Info	Anxiety disorder [ICD-11: 6B00]		[6]
Lamotrigine	API Info	Bipolar disorder [ICD-11: 6A60]		[7]
Olanzapine	API Info	Schizophrenia [ICD-11: 6A20]		[8]
Aripiprazole	API Info	Schizophrenia [ICD-11: 6A20]		[9]
Methylphenidate	API Info	Attention deficit hyperactivity disorder [ICD-11: 6A05]		[10]
Mirtazapine	API Info	Major depressive disorder [ICD-11: 6A70]		[11]
Clozapine	API Info	Schizophrenia [ICD-11: 6A20]		[12]
ICD Disease Classification 07		Sleep-wake disorder	Click to Show/Hide
Zolpidem	API Info	Insomnia [ICD-11: 7A00]		[13]
ICD Disease Classification 08		Nervous system disease	Click to Show/Hide
Acetaminophen	API Info	Anaesthesia [ICD-11: 8E22]		[14]
Tramadol	API Info	Anaesthesia [ICD-11: 8E22]		[15]
Clonazepam	API Info	Epilepsy [ICD-11: 8A60]		[16]
Rizatriptan	API Info	Migraine [ICD-11: 8A80]		[17]
Donepezil	API Info	Alzheimer disease [ICD-11: 8A20]		[18]
Zolmitriptan	API Info	Migraine [ICD-11: 8A80]		[19]
Selegiline	API Info	Parkinsonism [ICD-11: 8A00]		[20]
ICD Disease Classification 10		Ear/mastoid process disease	Click to Show/Hide
Amoxicillin	API Info	Acute otitis media [ICD-11: AB00]		[21]
ICD Disease Classification 11		Circulatory system disease	Click to Show/Hide
Bosentan	API Info	Pulmonary hypertension [ICD-11: BB01]		[22]
ICD Disease Classification 12		Respiratory system disease	Click to Show/Hide
Montelukast	API Info	Asthma [ICD-11: CA23]		[23]
Guaifenesin	API Info	Asthma [ICD-11: CA23]		[24]
Fexofenadine	API Info	Allergic rhinitis [ICD-11: CA08]		[25]
Loratadine	API Info	Allergic rhinitis [ICD-11: CA08]		[26]
Desloratadine	API Info	Allergic rhinitis [ICD-11: CA08]		[27]
ICD Disease Classification 13		Digestive system disease	Click to Show/Hide
Meclizine	API Info	Functional nausea/vomiting [ICD-11: DD90]		[28]
Lansoprazole	API Info	Duodenal ulcer [ICD-11: DA63]		[29]
Bismuth subsalicylate	API Info	Irritable bowel syndrome [ICD-11: DD91]		[30]
Ondansetron	API Info	Gastritis [ICD-11: DA42]		[31]
Metoclopramide	API Info	Gastro-oesophageal reflux disease [ICD-11: DA22]		[32]
Mesalamine	API Info	Inflammatory bowel disease [ICD-11: DD72]		[33]
Dimenhydrinate	API Info	Functional nausea/vomiting [ICD-11: DD90]		[34]
ICD Disease Classification 16		Genitourinary system disease	Click to Show/Hide
Ibuprofen	API Info	Dysmenorrhea [ICD-11: GA34]		[35]
ICD Disease Classification 17		Sexual health-related condition	Click to Show/Hide
Vardenafil	API Info	Erectile dysfunction [ICD-11: HA01]		[36]

Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
Hydrolase (HDase)
DBT Name: Matrix metalloproteinase-1 (MMP1)		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 = 20000 nM (estimated based on the structural similarity with CHEMBL62186 )		[37]
Structural Similarity	Tanimoto coefficient = 0.916666667
Tested Species	Homo sapiens (Human)
UniProt ID	MMP1_HUMAN
Nuclear receptor (NR)
DBT Name: Pregnane X receptor (NR1I2)		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 = 13 uM (tested by experiment)		[38]
Tested Species	Homo sapiens (Human)
UniProt ID	NR1I2_HUMAN

References
1	FDA label for approved didanosine from the official website of the U.S. Food and Drug Administration.
2	2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9.
3	FDA label for approved cefixime from the official website of the U.S. Food and Drug Administration.
4	FDA label for approved cetirizine from the official website of the U.S. Food and Drug Administration.
5	FDA label for approved risperidone 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 lamotrigine from the official website of the U.S. Food and Drug Administration.
8	FDA label for approved olanzapine from the official website of the U.S. Food and Drug Administration.
9	FDA label for approved aripiprazole from the official website of the U.S. Food and Drug Administration.
10	FDA label for approved methylphenidate from the official website of the U.S. Food and Drug Administration.
11	FDA label for approved mirtazapine from the official website of the U.S. Food and Drug Administration.
12	FDA label for approved clozapine from the official website of the U.S. Food and Drug Administration.
13	FDA label for approved zolpidem from the official website of the U.S. Food and Drug Administration.
14	FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
15	FDA label for approved tramadol from the official website of the U.S. Food and Drug Administration.
16	FDA label for approved clonazepam from the official website of the U.S. Food and Drug Administration.
17	FDA label for approved rizatriptan from the official website of the U.S. Food and Drug Administration.
18	FDA label for approved donepezil from the official website of the U.S. Food and Drug Administration.
19	FDA label for approved zolmitriptan from the official website of the U.S. Food and Drug Administration.
20	FDA label for approved selegiline from the official website of the U.S. Food and Drug Administration.
21	FDA label for approved amoxicillin from the official website of the U.S. Food and Drug Administration.
22	FDA label for approved bosentan from the official website of the U.S. Food and Drug Administration.
23	FDA label for approved montelukast from the official website of the U.S. Food and Drug Administration.
24	FDA label for approved guaifenesin from the official website of the U.S. Food and Drug Administration.
25	FDA label for approved fexofenadine from the official website of the U.S. Food and Drug Administration.
26	FDA label for approved loratadine from the official website of the U.S. Food and Drug Administration.
27	FDA label for approved desloratadine from the official website of the U.S. Food and Drug Administration.
28	FDA label for approved meclizine from the official website of the U.S. Food and Drug Administration.
29	FDA label for approved lansoprazole from the official website of the U.S. Food and Drug Administration.
30	Bismuth Subsalicylate.
31	FDA label for approved ondansetron from the official website of the U.S. Food and Drug Administration.
32	FDA label for approved metoclopramide from the official website of the U.S. Food and Drug Administration.
33	FDA label for approved mesalamine from the official website of the U.S. Food and Drug Administration.
34	FDA label for approved dimenhydrinate from the official website of the U.S. Food and Drug Administration.
35	FDA label for approved ibuprofen from the official website of the U.S. Food and Drug Administration.
36	FDA label for approved vardenafil from the official website of the U.S. Food and Drug Administration.
37	Inhibition of Matrix Metalloproteinases: An examination of the S1 pocket. Bioorg Med Chem Lett. (1997) 7:193-198.
38	The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.

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