Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0KP0P)
DIG Name
Propyl 4-hydroxybenzoate
Synonyms    Click to Show/Hide the Synonyms of This DIG
PROPYLPARABEN; Propyl 4-hydroxybenzoate; 94-13-3; Propyl paraben; 4-Hydroxybenzoic acid propyl ester; Propyl p-hydroxybenzoate; n-Propyl 4-hydroxybenzoate; Nipasol; Nipazol; Propyl parahydroxybenzoate; Propyl Butex; Betacide P; Propylparasept; Propagin; Chemacide pk; Chemocide pk; N-Propyl p-hydroxybenzoate; Propyl Parasept; Aseptoform P; p-Hydroxypropyl benzoate; Propyl Chemosept; Protaben P; Tegosept P; Propyl aseptoform; Nipagin P; Nipasol P; Solbrol P; Paseptol; 4-Hydroxybenzoic acid, propyl ester; Preserval P; Betacine P; Bonomold OP; Nipasol M; p-Hydroxybenzoic acid propyl ester; p-Hydroxybenzoic propyl ester; Propyl-4-hydroxybenzoate; Parasept; N-Propylparaben; Propyl chemsept; Propyl-paraben; Benzoic acid, 4-hydroxy-, propyl ester; n-propyl paraben; Benzoic acid, p-hydroxy-, propyl ester; UNII-Z8IX2SC1OH; Chemoside PK; Lexgard P; Pulvis conservans; p-Hydroxybenzoic acid, propyl ester; MFCD00002354; n-PROPYL-p-HYDROXYBENZOATE; propyl 4-oxidanylbenzoate; Z8IX2SC1OH; MLS002152934; CHEBI:32063; NSC23515; p-Hydroxybenzoic acid n-propyl ester; NCGC00090965-03; NCGC00090965-04; SMR000112070; DSSTox_CID_2527; WLN: QR DVO3; DSSTox_RID_76614; DSSTox_GSID_22527; Propyl parahydroxybenzoate;Propyl 4-hydroxybenzoate; Caswell No. 714; Propyl 4-hydroxybenzoate, 99+%; Propyl 4-hydroxybenzoate, >=99%; Bayer D 206; FEMA Number 2951; Pulvis conservans (VAN); CAS-94-13-3; FEMA No. 2951; HSDB 203; 1246820-92-7; p-Oxybenzoesaurepropylester [German]; EINECS 202-307-7; NSC 23515; p-Oxybenzoesaurepropylester; Propylparaben [USAN:NF]; EPA Pesticide Chemical Code 061203; BRN 1103245; AI3-01341; Propylester kyseliny p-hydroxybenzoove [Czech]; 4-Hydroxybenzoic acid propylester; 36M; Propylparaben (NF); Propylester kyseliny p-hydroxybenzoove; Propylparaben-[d7]; Propylparaben, USAN; ACMC-209rqc; 85403-59-4; Propylis parahydroxybenzoas; propyl para-hydroxybenzoate; SCHEMBL977; p-Oxybenzoesaeurepropylester; EC 202-307-7; cid_7175; n-propyl-p-hydroxy-benzoate; 4-10-00-00374 (Beilstein Handbook Reference); MLS002222346; MLS006011654; BIDD:ER0229; Propyl-4-Hydroxybenzoate,(S); CHEMBL194014; Propyl parahydroxybenzoate (TN); DTXSID4022527; BDBM70190; NSC8511; 4-Hydroxybenzoic acid-propyl ester; HMS2268K21; Propyl 4-hydroxybenzoate, BioXtra; Propyl parahydroxybenzoate (JP17); HY-N2026; NSC-8511; PROPYL PARA HYDROXY BENZOATE; ZINC1586788; Tox21_111048; Tox21_400012; 4-hydroxybenzoic acid n-propyl ester; ANW-40210; BBL023754; NSC-23515; s5405; SBB015060; STL294815; 4-Hydroxybenzoic acid, n-propyl ester; AKOS008948099; component of Heb-Cort MC (Salt/Mix); CCG-266432; DB14177; DS-3427; MCULE-6661199693; NCGC00090965-01; NCGC00090965-02; NCGC00090965-05; NCGC00090965-06; NCGC00090965-07; AK106260; E216; K713; ST075003; CS-0018518; FT-0618698; P1955; T8305; D01422; A844839; Propyl 4-hydroxybenzoate, p.a., 99.0-100.5%; Propyl Parahydroxybenzoate 0.01 mg/ml in Methanol; Propyl Parahydroxybenzoate 1.0 mg/ml in Methanol; Q511627; 4-Arm PEG-OMs, 95%, average M.W. 20,000; Q-201635; Propyl 4-hydroxybenzoate, SAJ first grade, >=98.0%; Propyl 4-hydroxybenzoate, tested according to Ph.Eur.; Propyl 4-hydroxybenzoate, Vetec(TM) reagent grade, 98%; Propylparaben, certified reference material, TraceCERT(R); UNII-AZF98361GV component QELSKZZBTMNZEB-UHFFFAOYSA-N; 4-Hydroxybenzoic acid-propyl ester 1000 microg/mL in Acetonitrile; Propylparaben, United States Pharmacopeia (USP) Reference Standard; Propyl parahydroxybenzoate, European Pharmacopoeia (EP) Reference Standard; Propylparaben, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function
Antimicrobial preservative
PubChem CID
7175
Formula
C10H12O3
Canonical SMILES
CCCOC(=O)C1=CC=C(C=C1)O
InChI
1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKey
QELSKZZBTMNZEB-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=7175"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 180.2 Topological Polar Surface Area 46.5
XlogP 3 Complexity 160
Heavy Atom Count 13 Rotatable Bond Count 4
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]
Crofelemer
 API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
 [4]
       ICD Disease Classification 02 Benign/in-situ/malignant neoplasm Click to Show/Hide
Temozolomide
 API Info
Brain cancer [ICD-11: 2A00]
 [5]
Procarbazine
 API Info
Hodgkin lymphoma [ICD-11: 2B30]
 [6]
       ICD Disease Classification 05 Endocrine/nutritional/metabolic disease Click to Show/Hide
Ergocalciferol
 API Info
Hypoparathyroidism [ICD-11: 5A50]
 [7]
Fluvastatin
 API Info
Hypertriglyceridaemia [ICD-11: 5C80]
 [8]
Gemfibrozil
 API Info
Hypertriglyceridaemia [ICD-11: 5C80]
 [9]
Zinc acetate
 API Info
Hyperphosphatemia [ICD-11: 5C64]
 [10]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Fluoxetine
 API Info
Major depressive disorder [ICD-11: 6A70]
 [11]
Nortriptyline
 API Info
Major depressive disorder [ICD-11: 6A70]
 [12]
Imipramine
 API Info
Major depressive disorder [ICD-11: 6A70]
 [13]
Chlorpromazine
 API Info
Schizophrenia [ICD-11: 6A20]
 [14]
Loxapine
 API Info
Schizophrenia [ICD-11: 6A20]
 [15]
Chlordiazepoxide
 API Info
Anxiety disorder [ICD-11: 6B00]
 [16]
Clomipramine
 API Info
Obsessive-compulsive disorder [ICD-11: 6B20]
 [17]
Trimipramine
 API Info
Major depressive disorder [ICD-11: 6A70]
 [18]
Oxazepam
 API Info
Anxiety disorder [ICD-11: 6B00]
 [19]
Cycloserine
 API Info
Dementia [ICD-11: 6D8Z]
 [20]
       ICD Disease Classification 07 Sleep-wake disorder Click to Show/Hide
Temazepam
 API Info
Insomnia [ICD-11: 7A00]
 [21]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Acetaminophen
 API Info
Anaesthesia [ICD-11: 8E22]
 [22]
Valproic acid
 API Info
Epilepsy [ICD-11: 8A60]
 [23]
Phenytoin
 API Info
Epilepsy [ICD-11: 8A60]
 [24]
Methylergonovine
 API Info
Migraine [ICD-11: 8A80]
 [25]
Ethosuximide
 API Info
Epilepsy [ICD-11: 8A60]
 [26]
       ICD Disease Classification 10 Ear/mastoid process disease Click to Show/Hide
Diphenhydramine
 API Info
Meniere disease [ICD-11: AB31]
 [27]
Amoxicillin
 API Info
Acute otitis media [ICD-11: AB00]
 [28]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Aspirin
 API Info
Myocardial infarction [ICD-11: BA41]
 [29]
Verapamil
 API Info
Essential hypertension [ICD-11: BA00]
 [30]
Nifedipine
 API Info
Angina pectoris [ICD-11: BA40]
 [31]
Dipyridamole
 API Info
Atherosclerosis [ICD-11: BA80]
 [32]
Disopyramide
 API Info
Ventricular tachyarrhythmia [ICD-11: BC71]
 [33]
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Benzonatate
 API Info
Asthma [ICD-11: CA23]
 [34]
Ceftibuten
 API Info
Bronchitis [ICD-11: CA20]
 [35]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Bisacodyl
 API Info
Irritable bowel syndrome [ICD-11: DD91]
 [36]
       ICD Disease Classification 14 Skin disease Click to Show/Hide
Isotretinoin
 API Info
Acne vulgaris [ICD-11: ED80]
 [37]
       ICD Disease Classification 16 Genitourinary system disease Click to Show/Hide
Ibuprofen
 API Info
Dysmenorrhea [ICD-11: GA34]
 [38]
       ICD Disease Classification 20 Developmental anomaly Click to Show/Hide
Calcitriol
 API Info
Congenital alopecia [ICD-11: LC30]
 [39]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Muscarinic receptor M1 (ACM1) 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 = 23 uM (tested by experiment) [40]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ACM1_HUMAN
      Oxidoreductase (ORase)
            DBT Name: Prostaglandin G/H synthase 1 (COX-1) 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 > 3 uM (tested by experiment) [40]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PGH1_HUMAN
            DBT Name: Prostaglandin G/H synthase 2 (COX-2) 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 > 3 uM (tested by experiment) [40]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PGH2_HUMAN
      Transferase (TFase)
            DBT Name: VEGF-2 receptor (KDR) 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 = 24 uM (tested by experiment) [40]
                    Tested Species Homo sapiens (Human)
                    UniProt ID VGFR2_HUMAN
      Hydrolase (HDase)
            DBT Name: Leukotriene A-4 hydrolase (LTA4H) 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 = 260 uM (tested by experiment) [40]
                    Tested Species Homo sapiens (Human)
                    UniProt ID LKHA4_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Norepinephrine transporter (NET) 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 = 30 uM (tested by experiment) [40]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SC6A2_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 = 25.1 % (tested by experiment) [41]
                    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 = 200 uM (tested by experiment) [40]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_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 = 309029.54 nM (tested by experiment) [42]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID ANDR_RAT
            DBT Name: Estrogen receptor alpha (ESR1) 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 = 11 uM (tested by experiment) [40]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ESR1_HUMAN
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 crofelemer from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved temozolomide from the official website of the U.S. Food and Drug Administration.
6 FDA label for approved procarbazine from the official website of the U.S. Food and Drug Administration.
7 FDA label for approved ergocalciferol from the official website of the U.S. Food and Drug Administration.
8 FDA label for approved fluvastatin from the official website of the U.S. Food and Drug Administration.
9 FDA label for approved gemfibrozil from the official website of the U.S. Food and Drug Administration.
10 FDA label for approved zinc acetate from the official website of the U.S. Food and Drug Administration.
11 FDA label for approved fluoxetine from the official website of the U.S. Food and Drug Administration.
12 FDA label for approved nortriptyline from the official website of the U.S. Food and Drug Administration.
13 FDA label for approved imipramine from the official website of the U.S. Food and Drug Administration.
14 FDA label for approved chlorpromazine from the official website of the U.S. Food and Drug Administration.
15 FDA label for approved loxapine from the official website of the U.S. Food and Drug Administration.
16 FDA label for approved chlordiazepoxide from the official website of the U.S. Food and Drug Administration.
17 FDA label for approved clomipramine from the official website of the U.S. Food and Drug Administration.
18 FDA label for approved trimipramine from the official website of the U.S. Food and Drug Administration.
19 FDA label for approved oxazepam from the official website of the U.S. Food and Drug Administration.
20 FDA label for approved cycloserine from the official website of the U.S. Food and Drug Administration.
21 FDA label for approved temazepam from the official website of the U.S. Food and Drug Administration.
22 FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
23 FDA label for approved valproic acid from the official website of the U.S. Food and Drug Administration.
24 FDA label for approved phenytoin from the official website of the U.S. Food and Drug Administration.
25 FDA label for approved methylergonovine from the official website of the U.S. Food and Drug Administration.
26 FDA label for approved ethosuximide from the official website of the U.S. Food and Drug Administration.
27 FDA label for approved diphenhydramine from the official website of the U.S. Food and Drug Administration.
28 FDA label for approved amoxicillin from the official website of the U.S. Food and Drug Administration.
29 FDA label for approved aspirin from the official website of the U.S. Food and Drug Administration.
30 FDA label for approved verapamil from the official website of the U.S. Food and Drug Administration.
31 FDA label for approved nifedipine from the official website of the U.S. Food and Drug Administration.
32 FDA label for approved dipyridamole from the official website of the U.S. Food and Drug Administration.
33 FDA label for approved disopyramide from the official website of the U.S. Food and Drug Administration.
34 FDA label for approved benzonatate from the official website of the U.S. Food and Drug Administration.
35 FDA label for approved ceftibuten from the official website of the U.S. Food and Drug Administration.
36 FDA label for approved bisacodyl from the official website of the U.S. Food and Drug Administration.
37 FDA label for approved isotretinoin from the official website of the U.S. Food and Drug Administration.
38 FDA label for approved ibuprofen from the official website of the U.S. Food and Drug Administration.
39 FDA label for approved calcitriol from the official website of the U.S. Food and Drug Administration.
40 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
41 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.
42 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.

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