Details of the Drug-Related molecule(s) Interaction Atlas

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: CHEMBL1239
  CAS Number: CAS 120-51-4
  TTD Drug ID: DMDPYI5
  INTEDE Drug ID: DR2263

Molecule-Related Drug Atlas

Drug(s) Targeting Hormone sensitive lipase (LIPE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID15026062C41	DMJGFLD	Pancreatitis	DC31-DC34	Clinical trial	[5]
OXYBENZONE	DMMZYX6	Discovery agent	N.A.	Investigative	[6]
ETHIOFENCARB	DMQTEDP	Discovery agent	N.A.	Investigative	[6]
NCI-58425	DM9C7GP	Discovery agent	N.A.	Investigative	[6]
2-(3-methoxybenzylthio)-2-phenylacetic acid	DM21MAU	Discovery agent	N.A.	Investigative	[6]
BIFENOX	DM4MUXT	Discovery agent	N.A.	Investigative	[6]
NCI-159878	DMTCBLS	Discovery agent	N.A.	Investigative	[6]
PMI-008	DMHX704	Obesity	5B81	Investigative	[7]

Drug(s) Affected By Interleukin-8 (CXCL8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrocortisone	DMGEMB7	Acne vulgaris	ED80	Approved	[8]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[9]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[10]
Pantothenic acid	DM091H2	Vitamin deficiency	5B55-5B71	Approved	[11]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[12]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[13]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[14]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[15]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[16]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[14]

Molecular Interaction Atlas of This Drug

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
Interleukin-8 (CXCL8)	OTS7T5VH	IL8_HUMAN	Gene/Protein Processing	[4]

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] 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.
• [5] Carbazates as potent inhibitors of hormone-sensitive lipase. Bioorg Med Chem Lett. 2004 Apr 5;14(7):1741-4.
• [6] 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.
• [7] 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).
• [8] 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.
• [9] 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.
• [10] 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.
• [11] 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.
• [12] 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.
• [13] 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.
• [14] 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.
• [15] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [16] 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.