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

General Information of Drug (ID: DMRQ70X)

• Drug Name: ACMC-1AKLT Drug Info
• Synonyms: Maybridge1_006885; PubChem8688; SCHEMBL307508; ZINC57916; 2H-1-Benzopyran-2-one, 7-hydroxy-4-(trifluoromethyl)-; 4-(Trifluoromethyl)umbelliferone; 4-(trifluoromethyl)umbeilliferone; 575-03-1; 7,4-Hfc; 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one; 7-Hydroxy-4-(trifluoromethyl)coumarin; 7-Hydroxy-4-trifluoromethyl-chromen-2-one; 7-Hydroxy-4-trifluoromethylcoumarin; 7-hydroxy-4-(trifluoromethyl)chromen-2-one; AC1NT9P6; AC1Q795W; CCKWMCUOHJAVOL-UHFFFAOYSA-N; CHEMBL104679; CTK5A6979; HMS561A21; MFCD00037578; TFMU
• Cross-matching ID:
  PubChem CID: 5375667
  ChEBI ID: CHEMBL104679
  CAS Number: CAS 575-03-1
  TTD Drug ID: DMRQ70X
  INTEDE Drug ID: DR1937

Molecule-Related Drug Atlas

Drug(s) Metabolized By UDP-glucuronosyltransferase 1A1 (UGT1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[5]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[1]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[6]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[7]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[8]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[9]
Mycophenolate mofetil	DMPQAGE	Hepatosplenic T-cell lymphoma		Approved	[10]
Metronidazole	DMTIVEN	Abscess		Approved	[11]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[12]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[13]

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	[14]
Thioridazine	DM35M8J	Schizophrenia	6A20	Approved	[15]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[16]
Chloramphenicol	DMFXEWT	Bacterial infection	1A00-1C4Z	Approved	[17]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[18]
Pentamidine	DMHZJCG	African trypanosomiasis	1F51	Approved	[19]
Stiripentol	DMMSDOY	Dravet syndrome	8A61.11	Approved	[20]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[19]
Desipramine	DMT2FDC	Attention deficit hyperactivity disorder	6A05.Z	Approved	[15]
Amitriptyline	DMK7F9S	Depression	6A70-6A7Z	Approved	[21]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) Main DME	DEYGVN4	UD11_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 2C19 (CYP2C19)	OTFMJYYE	CP2CJ_HUMAN	Biotransformations	[2]
UDP-glucuronosyltransferase 1-6	OTGTQ2C9	UD16_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 1A1	OTH1C8OJ	UD11_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 1A10	OTOTZVEY	UD110_HUMAN	Biotransformations	[4]
UDP-glucuronosyltransferase 1A7	OTY4JJ32	UD17_HUMAN	Biotransformations	[4]
UDP-glucuronosyltransferase 1A8	OTTMABBG	UD18_HUMAN	Biotransformations	[4]
UDP-glucuronosyltransferase 1A9	OTPCHAFX	UD19_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 2B15	OTABTFU2	UDB15_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 2B4	OTSZZP0B	UD2B4_HUMAN	Biotransformations	[4]
UDP-glucuronosyltransferase 2B7	OT2Q71VQ	UD2B7_HUMAN	Biotransformations	[3]

References

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• [2] Examination of purported probes of human CYP2B6. Pharmacogenetics. 1997 Jun;7(3):165-79.
• [3] Silybin inactivates cytochromes P450 3A4 and 2C9 and inhibits major hepatic glucuronosyltransferases. Drug Metab Dispos. 2004 Jun;32(6):587-94.
• [4] Phase II metabolism of betulin by rat and human UDP-glucuronosyltransferases and sulfotransferases. Chem Biol Interact. 2019 Apr 1;302:190-195. doi: 10.1016/j.cbi.2019.02.009. Epub 2019 Feb 15.
• [5] Functional significance of UDP-glucuronosyltransferase variants in the metabolism of active tamoxifen metabolites. Cancer Res. 2009 Mar 1;69(5):1892-900.
• [6] Effect of UDP-glucuronosyltransferase (UGT) 1A polymorphism (rs8330 and rs10929303) on glucuronidation status of acetaminophen. Dose Response. 2017 Sep 11;15(3):1559325817723731.
• [7] UDP-glucuronosyltransferase 1A1 is the principal enzyme responsible for etoposide glucuronidation in human liver and intestinal microsomes: structural characterization of phenolic and alcoholic glucuronides of etoposide and estimation of enzyme kinetics. Drug Metab Dispos. 2007 Mar;35(3):371-80.
• [8] Interindividual variability in pharmacokinetics of generic nucleoside reverse transcriptase inhibitors in TB/HIV-coinfected Ghanaian patients: UGT2B7*1c is associated with faster zidovudine clearance and glucuronidation. J Clin Pharmacol. 2009 Sep;49(9):1079-90.
• [9] Effect of aging on glucuronidation of valproic acid in human liver microsomes and the role of UDP-glucuronosyltransferase UGT1A4, UGT1A8, and UGT1A10. Drug Metab Dispos. 2009 Jan;37(1):229-36.
• [10] Characterization of rat intestinal microsomal UDP-glucuronosyltransferase activity toward mycophenolic acid. Drug Metab Dispos. 2006 Sep;34(9):1632-9.
• [11] Drug-drug interactions for UDP-glucuronosyltransferase substrates: a pharmacokinetic explanation for typically observed low exposure (AUCi/AUC) ratios. Drug Metab Dispos. 2004 Nov;32(11):1201-8.
• [12] Substrate-dependent modulation of UDP-glucuronosyltransferase 1A1 (UGT1A1) by propofol in recombinant human UGT1A1 and human liver microsomes. Basic Clin Pharmacol Toxicol. 2007 Sep;101(3):211-4.
• [13] Identification and preliminary characterization of UDP-glucuronosyltransferases catalyzing formation of ethyl glucuronide. Anal Bioanal Chem. 2014 Apr;406(9-10):2325-32.
• [14] 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.
• [15] 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.
• [16] 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.
• [17] Cytochrome P450 inhibition potential of new psychoactive substances of the tryptamine class. Toxicol Lett. 2016 Jan 22;241:82-94.
• [18] 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.
• [19] 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.
• [20] Stiripentol. Expert Opin Investig Drugs. 2005 Jul;14(7):905-11.
• [21] 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.