General Information of Drug (ID: DMDPYI5)

Drug Name
BENZYL BENZOATE Drug Info
Synonyms
BENZYL BENZOATE; 120-51-4; Benylate; Ascabiol; Novoscabin; Benzoic acid, phenylmethyl ester; Benzoic acid benzyl ester; Scobenol; Scabitox; Ascabin; Benzyl phenylformate; Phenylmethyl benzoate; Scabiozon; Scabagen; Peruscabin; Colebenz; Scabanca; Benzylets; Benzoic acid, benzyl ester; Vanzoate; Scabide; Benzyl benzenecarboxylate; benzylbenzoate; Antiscabiosum; Benzylis benzoas; Benzyl alcohol benzoic ester; Peruscabina; Venzonate; Spasmodin; Benzylum benzoicum; Benzylester kyseliny benzoove; Benzoesaeurebenzylester; Caswell No. 082
Indication
Disease Entry ICD 11 Status REF
Infestations of lice and scabies 1G00.Z Approved [1]
Cross-matching ID
PubChem CID
2345
ChEBI ID
CHEBI:41237
CAS Number
CAS 120-51-4
TTD Drug ID
DMDPYI5
INTEDE Drug ID
DR2263

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DME
DOT
Drug Status:
Clinical Trial Drug(s)
Investigative Drug(s)
Approved Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
PMID15026062C41 DMJGFLD Pancreatitis DC31-DC34 Clinical trial [8]
OXYBENZONE DMMZYX6 Discovery agent N.A. Investigative [9]
ETHIOFENCARB DMQTEDP Discovery agent N.A. Investigative [9]
NCI-58425 DM9C7GP Discovery agent N.A. Investigative [9]
2-(3-methoxybenzylthio)-2-phenylacetic acid DM21MAU Discovery agent N.A. Investigative [9]
BIFENOX DM4MUXT Discovery agent N.A. Investigative [9]
NCI-159878 DMTCBLS Discovery agent N.A. Investigative [9]
PMI-008 DMHX704 Obesity 5B81 Investigative [10]
⏷ Show the Full List of 8 Drug(s)
Drug(s) Affected By Amine oxidase A (MAOA)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Methotrexate DM2TEOL Anterior urethra cancer Approved [11]
Quercetin DM3NC4M Obesity 5B81 Approved [12]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [13]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [14]
Cyclophosphamide DM4O2Z7 Advanced cancer 2A00-2F9Z Approved [15]
Selegiline DM6034S Major depressive disorder 6A70.3 Approved [16]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [17]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [18]
Clorgyline DMCEUJD Parkinson disease 8A00.0 Approved [19]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [20]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Amine oxidase B (MAOB)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Dopamine DMPGUCF Acromegaly 5A60.0 Approved [21]
Methotrexate DM2TEOL Anterior urethra cancer Approved [11]
Quercetin DM3NC4M Obesity 5B81 Approved [12]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [22]
Selegiline DM6034S Major depressive disorder 6A70.3 Approved [23]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [24]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [18]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [20]
Linezolid DMGFPU2 Bacteremia 1A73 Approved [25]
Rosiglitazone DMILWZR Chronic kidney disease GB61 Approved [22]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Trefoil factor 1 (TFF1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [26]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [27]
Spironolactone DM2AQ5N Chronic heart failure BD1Z Approved [28]
Quercetin DM3NC4M Obesity 5B81 Approved [29]
Estrone DM5T6US Acne vulgaris ED80 Approved [30]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [31]
Reserpine DM6VM38 Hypertension BA00-BA04 Approved [28]
Testosterone DM7HUNW Hot flushes GA30 Approved [32]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [24]
Exemestane DM9HPW3 Hormonally-responsive breast cancer 2C60-2C65 Approved [33]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Interleukin-8 (CXCL8)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrocortisone DMGEMB7 Acne vulgaris ED80 Approved [34]
Nicotine DMWX5CO Lung cancer 2C25.0 Approved [35]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [36]
Pantothenic acid DM091H2 Vitamin deficiency 5B55-5B71 Approved [37]
Mechlorethamine DM0CVXA Chronic myelogenous leukaemia 2A20.0 Approved [38]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [39]
Fexofenadine DM17ONX Allergic rhinitis CA08.0 Approved [40]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [41]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [42]
Lumiracoxib DM1S4AG Chronic renal failure GB61.Z Approved [40]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [43]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [44]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [45]
Methotrexate DM2TEOL Anterior urethra cancer Approved [46]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [47]
Deoxycholic acid DM3GYAL Subcutaneous fat disorder EF02 Approved [48]
Quercetin DM3NC4M Obesity 5B81 Approved [12]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [49]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [50]
Acetic Acid, Glacial DM4SJ5Y infection in the ear canal AA0Y Approved [51]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [52]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [53]
Kanamycin DM2DMPO Bacteremia 1A73 Approved [54]
Methotrexate DM2TEOL Anterior urethra cancer Approved [55]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [56]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [50]
Chlorpromazine DMBGZI3 Acute intermittent hepatic porphyria 5C58.11 Approved [54]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [17]
Hydroquinone DM6AVR4 Melasma ED60.1 Approved [54]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [57]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hormone sensitive lipase (LIPE) TTLUQ8E LIPS_HUMAN Modulator [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Peroxidase (katG) Main DME DE4IY8S C8W2A6_DESAS Substrate [2] , [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Amine oxidase A (MAOA) OT8NIWMQ AOFA_HUMAN Gene/Protein Processing [4]
Amine oxidase B (MAOB) OTTDFM1O AOFB_HUMAN Gene/Protein Processing [4]
Cyclic AMP-dependent transcription factor ATF-3 (ATF3) OTC1UOHP ATF3_HUMAN Gene/Protein Processing [5]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [5]
T-lymphocyte activation antigen CD86 (CD86) OTJCSBPC CD86_HUMAN Gene/Protein Processing [6]
Trefoil factor 1 (TFF1) OTCYQH4F TFF1_HUMAN Gene/Protein Processing [7]

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
2 Peroxidase activity in the sulfate-reducing bacterium Desulfotomaculum acetoxidans DSM 771. Pol J Microbiol. 2010;59(4):249-55.
3 The uptake and accumulation of iron by the intestinal bacterium Desulfotomaculum acetoxidans DSM 771. Folia Biol (Krakow). 2005;53(1-2):79-81.
4 Combining initro and in silico approaches to evaluate the multifunctional profile of rosmarinic acid from Blechnum brasiliense on targets related to neurodegeneration. Chem Biol Interact. 2016 Jul 25;254:135-45.
5 An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens. Toxicol In Vitro. 2017 Apr;40:11-25. doi: 10.1016/j.tiv.2016.12.005. Epub 2016 Dec 10.
6 Improvement of human cell line activation test (h-CLAT) using short-time exposure methods for prevention of false-negative results. J Toxicol Sci. 2018;43(3):229-240. doi: 10.2131/jts.43.229.
7 Oestrogenic activity of benzyl salicylate, benzyl benzoate and butylphenylmethylpropional (Lilial) in MCF7 human breast cancer cells in vitro. J Appl Toxicol. 2009 Jul;29(5):422-34. doi: 10.1002/jat.1429.
8 Carbazates as potent inhibitors of hormone-sensitive lipase. Bioorg Med Chem Lett. 2004 Apr 5;14(7):1741-4.
9 Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of n... J Med Chem. 2008 Oct 23;51(20):6478-94.
10 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2593).
11 Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
12 Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
13 Effects of ciglitazone and troglitazone on the proliferation of human stomach cancer cells. World J Gastroenterol. 2009 Jan 21;15(3):310-20.
14 Phenotypic characterization of retinoic acid differentiated SH-SY5Y cells by transcriptional profiling. PLoS One. 2013 May 28;8(5):e63862.
15 Comparative gene expression analysis of a chronic myelogenous leukemia cell line resistant to cyclophosphamide using oligonucleotide arrays and response to tyrosine kinase inhibitors. Leuk Res. 2007 Nov;31(11):1511-20.
16 Characterizing fucoxanthin as a selective dopamine D(3)/D(4) receptor agonist: Relevance to Parkinson's disease. Chem Biol Interact. 2019 Sep 1;310:108757. doi: 10.1016/j.cbi.2019.108757. Epub 2019 Jul 16.
17 Arsenic suppresses gene expression in promyelocytic leukemia cells partly through Sp1 oxidation. Blood. 2005 Jul 1;106(1):304-10.
18 Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
19 Synthesis and study of a series of 3-arylcoumarins as potent and selective monoamine oxidase B inhibitors. J Med Chem. 2011 Oct 27;54(20):7127-37.
20 Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
21 Inhibition potential of 3,4-methylenedioxymethamphetamine (MDMA) and its metabolites on the in vitro monoamine oxidase (MAO)-catalyzed deamination of the neurotransmitters serotonin and dopamine. Toxicol Lett. 2016 Jan 22;243:48-55.
22 Molecular Insights into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs. ACS Med Chem Lett. 2011 Oct 15;3(1):39-42.
23 Chromone, a privileged scaffold for the development of monoamine oxidase inhibitors. J Med Chem. 2011 Jul 28;54(14):5165-73.
24 Identification of vitamin D3 target genes in human breast cancer tissue. J Steroid Biochem Mol Biol. 2016 Nov;164:90-97.
25 Nonclinical Evaluation of Antibacterial Oxazolidinones Contezolid and Contezolid Acefosamil with Low Serotonergic Neurotoxicity. Chem Res Toxicol. 2021 May 17;34(5):1348-1354. doi: 10.1021/acs.chemrestox.0c00524. Epub 2021 Apr 29.
26 Resveratrol modulates the phosphoinositide 3-kinase pathway through an estrogen receptor alpha-dependent mechanism: relevance in cell proliferation. Int J Cancer. 2004 Mar 20;109(2):167-73. doi: 10.1002/ijc.11720.
27 Global gene expression analysis reveals differences in cellular responses to hydroxyl- and superoxide anion radical-induced oxidative stress in caco-2 cells. Toxicol Sci. 2010 Apr;114(2):193-203. doi: 10.1093/toxsci/kfp309. Epub 2009 Dec 31.
28 Evaluation of an imaging-based in vitro screening platform for estrogenic activity with OECD reference chemicals. Toxicol In Vitro. 2022 Jun;81:105348. doi: 10.1016/j.tiv.2022.105348. Epub 2022 Mar 18.
29 Estrogenic activities of Ginkgo biloba extracts. Life Sci. 2004 Jan 30;74(11):1325-35. doi: 10.1016/j.lfs.2003.06.045.
30 Tartrazine and sunset yellow are xenoestrogens in a new screening assay to identify modulators of human oestrogen receptor transcriptional activity. Toxicology. 2012 Aug 16;298(1-3):40-51. doi: 10.1016/j.tox.2012.04.014. Epub 2012 May 3.
31 Arsenic induces functional re-expression of estrogen receptor by demethylation of DNA in estrogen receptor-negative human breast cancer. PLoS One. 2012;7(4):e35957. doi: 10.1371/journal.pone.0035957. Epub 2012 Apr 27.
32 Co-culture of primary human mammary fibroblasts and MCF-7 cells as an in vitro breast cancer model. Toxicol Sci. 2005 Feb;83(2):257-63.
33 Characterization of the weak estrogen receptor alpha agonistic activity of exemestane. Breast Cancer Res Treat. 2009 Aug;116(3):461-70. doi: 10.1007/s10549-008-0151-x. Epub 2008 Aug 3.
34 Monomeric and oligomeric flavanols maintain the endogenous glucocorticoid response in human macrophages in pro-oxidant conditions in vitro. Chem Biol Interact. 2018 Aug 1;291:237-244.
35 Nicotine up-regulates IL-8 expression in human gingival epithelial cells following stimulation with IL-1 or P. gingivalis lipopolysaccharide via nicotinic acetylcholine receptor signalling. Arch Oral Biol. 2012 May;57(5):483-90. doi: 10.1016/j.archoralbio.2011.10.007. Epub 2011 Nov 25.
36 Ca(2+) Signaling and IL-8 Secretion in Human Testicular Peritubular Cells Involve the Cation Channel TRPV2. Int J Mol Sci. 2018 Sep 19;19(9):2829. doi: 10.3390/ijms19092829.
37 Calcium pantothenate modulates gene expression in proliferating human dermal fibroblasts. Exp Dermatol. 2009 Nov;18(11):969-78. doi: 10.1111/j.1600-0625.2009.00884.x. Epub 2009 Apr 8.
38 Nitrogen mustard prevents transport of Fra-1 into the nucleus to promote c-Fos- and FosB-dependent IL-8 induction in injured mouse epidermis. Toxicol Lett. 2020 Feb 1;319:256-263. doi: 10.1016/j.toxlet.2019.10.006. Epub 2019 Oct 19.
39 ERE-independent ERalpha target genes differentially expressed in human breast tumors. Mol Cell Endocrinol. 2005 Dec 21;245(1-2):53-9. doi: 10.1016/j.mce.2005.10.003. Epub 2005 Nov 17.
40 An in vitro coculture system of human peripheral blood mononuclear cells with hepatocellular carcinoma-derived cells for predicting drug-induced liver injury. Arch Toxicol. 2021 Jan;95(1):149-168. doi: 10.1007/s00204-020-02882-4. Epub 2020 Aug 20.
41 Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
42 Nitric oxide synthase inhibitors attenuate ozone-induced airway inflammation in guinea pigs. Possible role of interleukin-8. Am J Respir Crit Care Med. 2000 Jan;161(1):249-56. doi: 10.1164/ajrccm.161.1.9804096.
43 Inhibiting Heat Shock Proteins Can Potentiate the Cytotoxic Effect of Cannabidiol in Human Glioma Cells. Anticancer Res. 2015 Nov;35(11):5827-37.
44 Gene expression after treatment with hydrogen peroxide, menadione, or t-butyl hydroperoxide in breast cancer cells. Cancer Res. 2002 Nov 1;62(21):6246-54.
45 Expression profile analysis of colon cancer cells in response to sulindac or aspirin. Biochem Biophys Res Commun. 2002 Mar 29;292(2):498-512.
46 Development and validation of the TGx-HDACi transcriptomic biomarker to detect histone deacetylase inhibitors in human TK6 cells. Arch Toxicol. 2021 May;95(5):1631-1645. doi: 10.1007/s00204-021-03014-2. Epub 2021 Mar 26.
47 Simvastatin inactivates beta1-integrin and extracellular signal-related kinase signaling and inhibits cell proliferation in head and neck squamous cell carcinoma cells. Cancer Sci. 2007 Jun;98(6):890-9.
48 Identification of novel activators of the metal responsive transcription factor (MTF-1) using a gene expression biomarker in a microarray compendium. Metallomics. 2020 Sep 23;12(9):1400-1415. doi: 10.1039/d0mt00071j.
49 Transcriptomic analysis of untreated and drug-treated differentiated HepaRG cells over a 2-week period. Toxicol In Vitro. 2015 Dec 25;30(1 Pt A):27-35.
50 Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
51 Motexafin gadolinium and zinc induce oxidative stress responses and apoptosis in B-cell lymphoma lines. Cancer Res. 2005 Dec 15;65(24):11676-88.
52 Responsiveness of human monocyte-derived dendritic cells to thimerosal and mercury derivatives. Toxicol Appl Pharmacol. 2010 Jul;246(1-2):66-73. doi: 10.1016/j.taap.2010.04.007. Epub 2010 Apr 22.
53 Regulatory role of nitric oxide on monocyte-derived dendritic cell functions. J Interferon Cytokine Res. 2003 Aug;23(8):423-31. doi: 10.1089/107999003322277838.
54 A plasmacytoid dendritic cell (CD123+/CD11c-) based assay system to predict contact allergenicity of chemicals. Toxicology. 2009 Oct 1;264(1-2):1-9. doi: 10.1016/j.tox.2009.07.021. Epub 2009 Aug 7.
55 The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
56 Differential effects of statins on relevant functions of human monocyte-derived dendritic cells. J Leukoc Biol. 2006 Mar;79(3):529-38. doi: 10.1189/jlb.0205064. Epub 2005 Dec 30.
57 Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.