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

General Information of Drug (ID: DMJSC07)

• Drug Name: Bufuralol Drug Info
• Synonyms: Bufuralol; Bufuralol [BAN:INN]; Bufuralol [INN:BAN]; Bufuralolum; Bufuralolum [INN-Latin]; Ro 3-4787; dl-Bufuralol; (RS)-alpha-(tert-Butylamino)methyl)-7-ethyl-12-benzofuranmethanol; 1-(7-Ethylbenzofuran-2-yl)-2-tert-butylamino-1-hydroxyethane; 2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol; 2-(tert-butylamino)-1-(7-ethylbenzofuran-2-yl)ethanol; 54340-62-4; AC1L2GPJ; AC1Q777C; CHEBI:34593; CHEMBL296035; EINECS 259-112-5; GTPL9834; SCHEMBL78552; alpha-((tert-Butylamino)methyl)-7-ethyl-2-benzofuranmethanol
• Cross-matching ID:
  PubChem CID: 71733
  ChEBI ID: CHEMBL34593
  CAS Number: CAS 54340-62-4
  TTD Drug ID: DMJSC07
  INTEDE Drug ID: DR0241

Molecule-Related Drug Atlas

Drug(s) Metabolized By Cytochrome P450 2D6 (CYP2D6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[3]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[4]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[5]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[6]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[7]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[8]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[9]
Dopamine	DMPGUCF	Acromegaly	5A60.0	Approved	[10]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[11]
Propranolol	DM79NTF	Angina pectoris	BA40	Approved	[12]

Drug(s) Affected By Cytochrome P450 2C19 (CYP2C19)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[13]
Thioridazine	DM35M8J	Schizophrenia	6A20	Approved	[14]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[15]
Chloramphenicol	DMFXEWT	Bacterial infection	1A00-1C4Z	Approved	[16]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[17]
Pentamidine	DMHZJCG	African trypanosomiasis	1F51	Approved	[18]
Stiripentol	DMMSDOY	Dravet syndrome	8A61.11	Approved	[19]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[18]
Desipramine	DMT2FDC	Attention deficit hyperactivity disorder	6A05.Z	Approved	[14]
Amitriptyline	DMK7F9S	Depression	6A70-6A7Z	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 2C19 (CYP2C19)	OTFMJYYE	CP2CJ_HUMAN	Biotransformations	[2]

References

• [1] Cytochrome b5 is a major determinant of human cytochrome P450 CYP2D6 and CYP3A4 activity in vivo. Mol Pharmacol. 2015 Apr;87(4):733-9.
• [2] A monoclonal antibody inhibitory to human P450 2D6: a paradigm for use in combinatorial determination of individual P450 role in specific drug tissue metabolism. Pharmacogenetics. 1997 Dec;7(6):469-77. doi: 10.1097/00008571-199712000-00005.
• [3] Inhibitory effects of anticancer drugs on dextromethorphan-O-demethylase activity in human liver microsomes. Cancer Chemother Pharmacol. 1993;32(6):491-5.
• [4] Effect of genetic polymorphism on the metabolism of endogenous neuroactive substances, progesterone and p-tyramine, catalyzed by CYP2D6. Brain Res Mol Brain Res. 2004 Oct 22;129(1-2):117-23.
• [5] CYP2D6 polymorphisms and tamoxifen metabolism: clinical relevance. Curr Oncol Rep. 2010 Jan;12(1):7-15.
• [6] Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
• [7] Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
• [8] Inhibition of cytochrome P450 2D6: structure-activity studies using a series of quinidine and quinine analogues. Chem Res Toxicol. 2003 Apr;16(4):450-9.
• [9] Effects of propofol on human hepatic microsomal cytochrome P450 activities. Xenobiotica. 1998 Sep;28(9):845-53.
• [10] Pharmacogenetics of schizophrenia. Am J Med Genet. 2000 Spring;97(1):98-106.
• [11] Roles of CYP2A6 and CYP2B6 in nicotine C-oxidation by human liver microsomes. Arch Toxicol. 1999 Mar;73(2):65-70.
• [12] Structure-activity relationship for human cytochrome P450 substrates and inhibitors. Drug Metab Rev. 2002 Feb-May;34(1-2):69-82.
• [13] Characterization of the structural determinants required for potent mechanism-based inhibition of human cytochrome P450 1A1 by cannabidiol. Chem Biol Interact. 2014 May 25;215:62-8.
• [14] Inhibition of cytochrome P450 enzymes participating in p-nitrophenol hydroxylation by drugs known as CYP2E1 inhibitors. Chem Biol Interact. 2004 Apr 15;147(3):331-40.
• [15] The novel azole R126638 is a selective inhibitor of ergosterol synthesis in Candida albicans, Trichophyton spp., and Microsporum canis. Antimicrob Agents Chemother. 2004 Sep;48(9):3272-8.
• [16] Cytochrome P450 inhibition potential of new psychoactive substances of the tryptamine class. Toxicol Lett. 2016 Jan 22;241:82-94.
• [17] Effects of capsaicin and dihydrocapsaicin on human and rat liver microsomal CYP450 enzyme activities in vitro and in vivo. J Asian Nat Prod Res. 2012;14(4):382-95.
• [18] Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. Drug Metab Dispos. 2001 Jan;29(1):30-5.
• [19] Stiripentol. Expert Opin Investig Drugs. 2005 Jul;14(7):905-11.
• [20] 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.