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

General Information of Drug (ID: DM5ZOX8)

• Drug Name: Benoxaprofen Drug Info
• Synonyms: Benoxaprofene; Benoxaprofeno; Benoxaprofenum; Coxigon; Inflamid; Opren; Oraflex; Uniprofen; LRCL3794; Lilly 90459; Benoxaprofene [INN-French]; Benoxaprofeno [INN-Spanish]; Benoxaprofenum [INN-Latin]; Dl-Benoxaprofen; Oraflex (TN); Benoxaprofen (USAN/INN); Benoxaprofen [USAN:INN:BAN]; (+-)-2-(p-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; (-)-2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; (-)-Benoxaprofen; (1)-2-(4-Chlorophenyl)benzoxazole-5-propionic acid; 2-(2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl)propanoic acid; 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; 2-(p-Chlorophenyl)-.alpha.-methyl-5-benzoxazoleacetic acid; 2-[2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Withdrawn from market	[1]

• Cross-matching ID:
  PubChem CID: 39941
  ChEBI ID: CHEMBL340978
  CAS Number: CAS 51234-28-7
  TTD Drug ID: DM5ZOX8

Molecule-Related Drug Atlas

Drug(s) Targeting Acetoacetyl-CoA thiolase (ACAT1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ATR-01	DMU67HD	Adrenocortical carcinoma	2D11.Z	Phase 1	[6]
PMID25470667-Compound-K-604	DMYZ2UA	N. A.	N. A.	Patented	[7]
PMID16242323C18a	DMI5WPQ	Discovery agent	N.A.	Investigative	[8]
PMID16242323C16	DM2Q79X	Discovery agent	N.A.	Investigative	[8]
PMID16242323C22c	DMFDRMH	Discovery agent	N.A.	Investigative	[8]
PMID16242323C26a	DMD0Q7K	Discovery agent	N.A.	Investigative	[8]
Nonanoic acid biphenyl-2-ylamide	DM951PF	Discovery agent	N.A.	Investigative	[9]
Octanoic acid biphenyl-2-ylamide	DM4RGCX	Discovery agent	N.A.	Investigative	[9]
PMID16242323C22d	DMJICNL	Discovery agent	N.A.	Investigative	[8]
PMID16242323C15a	DMM4A7P	Discovery agent	N.A.	Investigative	[8]

Drug(s) Affected By Albumin (ALB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[10]
Sulfamethoxazole	DMB08GE	Acute otitis media	AB00	Approved	[11]
Tolbutamide	DM02AWV	Advanced cancer	2A00-2F9Z	Approved	[12]
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[13]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[14]
Methimazole	DM25FL8	Hyperthyroidism	5A02	Approved	[15]
Imipramine	DM2NUH3	Depression	6A70-6A7Z	Approved	[16]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[17]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[18]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetoacetyl-CoA thiolase (ACAT1)	TTK3C21	THIL_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Albumin (ALB)	OTVMM513	ALBU_HUMAN	Drug Response	[3]
UDP-glucuronosyltransferase 1A3	OTUEOER3	UD13_HUMAN	Drug Response	[4]
UDP-glucuronosyltransferase 1A9	OTPCHAFX	UD19_HUMAN	Drug Response	[4]
UDP-glucuronosyltransferase 2B7	OT2Q71VQ	UD2B7_HUMAN	Biotransformations	[5]

References

• [1] Benoxaprofen: side-effect profile in 300 patients. Br Med J (Clin Res Ed). 1982 May 8;284(6326):1365-8.
• [2] Inhibition of lyso-PAF: acetyl-CoA acetyltransferase by salicylates and other compounds. Prostaglandins. 1988 Jun;35(6):939-44.
• [3] Benoxaprofen photosensitization of cell membrane disruption. J Invest Dermatol. 1984 Mar;82(3):214-8. doi: 10.1111/1523-1747.ep12260034.
• [4] Carboxylic acid drug-induced DNA nicking in HEK293 cells expressing human UDP-glucuronosyltransferases: role of acyl glucuronide metabolites and glycation pathways. Chem Res Toxicol. 2007 Oct;20(10):1520-7. doi: 10.1021/tx700188x. Epub 2007 Sep 20.
• [5] Complementary deoxyribonucleic acid cloning and expression of a human liver uridine diphosphate-glucuronosyltransferase glucuronidating carboxylic acid-containing drugs. J Pharmacol Exp Ther. 1993 Jan;264(1):475-9.
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] Acyltransferase inhibitors: a patent review (2010-present).Expert Opin Ther Pat. 2015 Feb;25(2):145-58.
• [8] Synthesis and biological activity of novel 4-phenyl-1,8-naphthyridin-2(1H)-on-3-yl ureas: potent acyl-CoA:cholesterol acyltransferase inhibitor wit... Bioorg Med Chem Lett. 2006 Jan 1;16(1):44-8.
• [9] Biphenyl versus phenylpyridazine derivatives: the role of the heterocycle in a series of acyl-CoA:cholesterol acyl transferase inhibitors. J Med Chem. 2008 Mar 13;51(5):1474-7.
• [10] Gene expression analysis of precision-cut human liver slices indicates stable expression of ADME-Tox related genes. Toxicol Appl Pharmacol. 2011 May 15;253(1):57-69.
• [11] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
• [12] A protein-coated magnetic beads as a tool for the rapid drug-protein binding study. J Pharm Biomed Anal. 2010 Jul 8;52(3):420-4. doi: 10.1016/j.jpba.2009.06.023. Epub 2009 Jun 18.
• [13] The three recombinant domains of human serum albumin. Structural characterization and ligand binding properties. J Biol Chem. 1999 Oct 8;274(41):29303-10. doi: 10.1074/jbc.274.41.29303.
• [14] Exploring binding properties of sertraline with human serum albumin: Combination of spectroscopic and molecular modeling studies. Chem Biol Interact. 2015 Dec 5;242:235-46. doi: 10.1016/j.cbi.2015.10.006. Epub 2015 Oct 22.
• [15] Low-expressional IGF1 mediated methimazole-induced liver developmental toxicity in fetal mice. Toxicology. 2018 Sep 1;408:70-79. doi: 10.1016/j.tox.2018.07.004. Epub 2018 Jul 7.
• [16] Use of peak decay analysis and affinity microcolumns containing silica monoliths for rapid determination of drug-protein dissociation rates. J Chromatogr A. 2011 Apr 15;1218(15):2072-8. doi: 10.1016/j.chroma.2010.09.070. Epub 2010 Oct 16.
• [17] [Colchicine in chronic liver disease of alcoholic etiology. Double-blind, randomized study of its effects on blood levels of plasma proteins and clinical course in patients]. Rev Assoc Med Bras (1992). 1995 May-Jun;41(3):207-12.
• [18] Editor's Highlight: Modeling Compound-Induced Fibrogenesis In Vitro Using Three-Dimensional Bioprinted Human Liver Tissues. Toxicol Sci. 2016 Dec;154(2):354-367. doi: 10.1093/toxsci/kfw169. Epub 2016 Sep 7.
• [19] Covalent binding of the flavonoid quercetin to human serum albumin. J Agric Food Chem. 2005 May 18;53(10):4194-7. doi: 10.1021/jf050061m.