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

General Information of Drug (ID: DMAXBOU)

• Drug Name: 6-Methyl-2-phenyl-chromen-4-one Drug Info
• Synonyms: 6-Methylflavone; 29976-75-8; 6-methyl-2-phenyl-4H-chromen-4-one; 6-methyl-2-phenylchromen-4-one; ST069348; 4H-1-Benzopyran-4-one,6-methyl-2-phenyl-; AC1Q6AKA; AC1LEN9R; Maybridge3_003437; Cambridge id 5479507; Oprea1_512723; BIDD:ER0442; SCHEMBL4648879; CHEMBL134291; ZINC58123; CTK4G4151; DTXSID40351008; MolPort-000-648-469; NOQJBXPAMJLUSS-UHFFFAOYSA-N; HMS1440M05; HY-N6630; KS-000017TV; SBB012439; 6019AH; AKOS002387497; MCULE-3565329436; CCG-250475; IDI1_014824; NCGC00142612-01; ZB002324; 6-Methylflavone solution, 20 mM in DMSO

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 689013
  CAS Number: CAS 29976-75-8
  TTD Drug ID: DMAXBOU

Molecule-Related Drug Atlas

Drug(s) Targeting Gamma-aminobutyric acid receptor (GAR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenobarbital	DMXZOCG	Cluster headache	8A81.0	Approved	[3]
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	approved	[4]
THIOCOLCHICOSIDE	DMEPWYA	Muscle spasm	MB47.3	Approved	[5]
Clonazepam	DMTO13J	Absence epilepsy		Approved	[6]
Piperazine	DMTY9LU	Ascariasis	1F62	Approved	[7]
Alpidem	DMN7Y9K	Anxiety disorder	6B00-6B0Z	Approved	[8]
Moxidectin	DMYGHX5	Onchocerciasis	1F6A	Approved	[9]
DP-VPA	DMGOXPQ	Bipolar disorder	6A60	Approved	[10]
ANDROSTERONE	DMITJAK	N. A.	N. A.	Phase 3	[4]
ZK-93423	DMFWMKZ	Epileptic seizures	8A61-8A6Z	Phase 3	[11]

Drug(s) Affected By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Eplerenone	DMF0NQR	Heart failure	BD10-BD13	Approved	[12]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[13]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[14]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[15]
Proguanil	DMBL79I	Malaria	1F40-1F45	Approved	[16]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[16]
Loratadine	DMF3AN7	Allergy	4A80-4A85	Approved	[17]
Nelfinavir mesylate	DMFX6G8	N. A.	N. A.	Approved	[18]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[19]
Axitinib	DMGVH6N	Renal cell carcinoma	2C90	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 3A4 (CYP3A4)	OTQGYY83	CP3A4_HUMAN	Gene/Protein Processing	[2]

References

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• [2] Heterotropic activation of flavonoids on cytochrome P450 3A4: A case example of alleviating dronedarone-induced cytotoxicity. Toxicol Lett. 2020 Feb 1;319:187-196. doi: 10.1016/j.toxlet.2019.11.016. Epub 2019 Nov 19.
• [3] DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
• [4] Neurosteroid analogues. 11. Alternative ring system scaffolds: gamma-aminobutyric acid receptor modulation and anesthetic actions of benz[f]indenes. J Med Chem. 2006 Jul 27;49(15):4595-605.
• [5] 3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.
• [6] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
• [7] Cyclooctadepsipeptides--an anthelmintically active class of compounds exhibiting a novel mode of action. Int J Antimicrob Agents. 2003 Sep;22(3):318-31.
• [8] Synthesis and binding affinity of 2-phenylimidazo[1,2-alpha]pyridine derivatives for both central and peripheral benzodiazepine receptors. A new se... J Med Chem. 1997 Sep 12;40(19):3109-18.
• [9] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [10] DP-VPA D-Pharm. Curr Opin Investig Drugs. 2002 Jun;3(6):921-3.
• [11] Structural requirements for agonist actions at the benzodiazepine receptor: studies with analogues of 6-(benzyloxy)-4-(methoxymethyl)-beta-carbolin... J Med Chem. 1990 Mar;33(3):1062-9.
• [12] The relative role of CYP3A4 and CYP3A5 in eplerenone metabolism. Toxicol Lett. 2019 Oct 15;315:9-13.
• [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] Retinoids activate the RXR/SXR-mediated pathway and induce the endogenous CYP3A4 activity in Huh7 human hepatoma cells. Toxicol Sci. 2006 Jul;92(1):51-60.
• [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] 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.
• [17] Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5591-4.
• [18] Mechanism-based inactivation of CYP3A by HIV protease inhibitors. J Pharmacol Exp Ther. 2005 Feb;312(2):583-91.
• [19] Studies of the toxicological potential of capsinoids, XIII: inhibitory effects of capsaicin and capsinoids on cytochrome P450 3A4 in human liver microsomes. Int J Toxicol. 2010 Mar;29(2 Suppl):22S-6S.
• [20] Investigation of the effects of axitinib on the pharmacokinetics of loperamide and its main metabolite N-demethylated loperamide in rats by UPLC-MS/MS. Chem Biol Interact. 2019 Sep 1;310:108744. doi: 10.1016/j.cbi.2019.108744. Epub 2019 Jul 9.