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

General Information of Drug (ID: DM0HPWY)

• Drug Name: biochanin A Drug Info
• Synonyms: Biochanin A; 491-80-5; Biochanin; 4'-Methylgenistein; 5,7-Dihydroxy-4'-methoxyisoflavone; 5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Genistein 4-methyl ether; 5,7-Dihydrox -4'-methoxyisoflavone; Biochanine A; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-; olmelin; Pratensol; NSC 123538; Biochanin-A; 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one; 4-Methylgenistein; C16H12O5; UNII-U13J6U390T; CCRIS 5449; 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one; EINECS 207-744-7; NSC123538; Genistein 4'-methyl ether; 4'-methylgenistein; BIOCHANIN

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1] , [2]

• Cross-matching ID:
  PubChem CID: 5280373
  ChEBI ID: CHEBI:17574
  CAS Number: CAS 491-80-5
  TTD Drug ID: DM0HPWY

Molecule-Related Drug Atlas

Drug(s) Targeting Plasmodium Beta-hydroxyacyl-ACP dehydratase (Malaria FabZ)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[2]
Morin	DM2OGZ5	Discovery agent	N.A.	Investigative	[2]
3,7,3',4'-TETRAHYDROXYFLAVONE	DMES906	Discovery agent	N.A.	Investigative	[2]
(-)-CATECHINGALLATE	DMZOGSK	Discovery agent	N.A.	Investigative	[2]
2-Hexadecynoic acid	DMTFIPZ	Discovery agent	N.A.	Investigative	[5]
GALLOCATECHIN GALLATE	DMX2084	Discovery agent	N.A.	Investigative	[2]

Drug(s) Targeting Aromatase (CYP19A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Anastrozole	DMNP60F	Breast cancer	2C60-2C65	Approved	[6]
Letrozole	DMH07Y3	Hormonally-responsive breast cancer	2C60-2C65	Approved	[7]
Exemestane	DM9HPW3	Hormonally-responsive breast cancer	2C60-2C65	Approved	[7]
Aminoglutethimide	DMWFHMZ	Cushing disease	5A70	Approved	[8]
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[9]
Testolactone	DMVY4GN	Breast cancer	2C60-2C65	Approved	[10]
Atamestane + Toremifene	DM3QLK2	Breast cancer	2C60-2C65	Phase 3	[11]
LIAROZOLE	DM4OYXE	Dermatological disease	DA24.Y	Phase 2/3	[3]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[12]
Dextromethorphan+quinidine	DMFI5J4	Diabetic neuropathy	8C0Z	Phase 2	[13]

Drug(s) Targeting Fatty acid synthase (FASN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cerulenin	DM6N4PR	Weight loss	MG43.5	Approved	[14]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[2]
TVB-2640	DM19GUH	Astrocytoma	2A00.0Y	Phase 2	[15]
TVB-2640	DMP30SA	Non-alcoholic fatty liver disease	DB92	Phase 2	[16]
FAS1	DMAX2EW	Fungal infection	1F29-1F2F	Preclinical	[17]
FSA2	DMLNRCI	Fungal infection	1F29-1F2F	Preclinical	[17]
Morin	DM2OGZ5	Discovery agent	N.A.	Investigative	[2]
3,7,3',4'-TETRAHYDROXYFLAVONE	DMES906	Discovery agent	N.A.	Investigative	[2]
(-)-CATECHINGALLATE	DMZOGSK	Discovery agent	N.A.	Investigative	[2]
2-Hexadecynoic acid	DMTFIPZ	Discovery agent	N.A.	Investigative	[5]

Drug(s) Targeting Estrogen-related receptor-beta (ESRRB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Daidzein	DMRFTJX	Discovery agent	N.A.	Investigative	[4]
DY131	DMFJ3VC	Discovery agent	N.A.	Investigative	[18]

Drug(s) Targeting Estrogen-related receptor-gamma (ESRRG)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Daidzein	DMRFTJX	Discovery agent	N.A.	Investigative	[4]
DY131	DMFJ3VC	Discovery agent	N.A.	Investigative	[19]
GSK4716	DMHUMP9	Discovery agent	N.A.	Investigative	[19]

Drug(s) Targeting Estrogen-related receptor-alpha (ESRRA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Rimexolone	DMTAREC	Arthritis	FA20	Approved	[20]
Pregnenolone	DM6VFO1	Schizophrenia	6A20	Phase 4	[21]
D-5519	DM9FAJM	Asthma	CA23	Phase 3	[22]
Dexamethasone palmitate	DMCMT4V	Choroidal neovascularization	9B76	Phase 1/2	[23]
RPR-106541	DMRGC5B	Asthma	CA23	Discontinued in Phase 2	[24]
Rofleponide	DM6OSPQ	Allergic rhinitis	CA08.0	Discontinued in Phase 2	[25]
AD-121	DMB8XJM	Rheumatoid arthritis	FA20	Discontinued in Phase 1/2	[20]
GW-250495	DMWJZAP	Asthma	CA23	Discontinued in Phase 1	[20]
PLD-177	DMPHUBO	Allergic rhinitis	CA08.0	Terminated	[20]
Steroid hormone conjugates	DMOJM08	Cachexia	MG20	Terminated	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[3]
Estrogen-related receptor-alpha (ESRRA)	TTPNQAC	ERR1_HUMAN	Agonist	[4]
Estrogen-related receptor-beta (ESRRB)	TTKF0XS	ERR2_HUMAN	Agonist	[4]
Estrogen-related receptor-gamma (ESRRG)	TT9ZRHB	ERR3_HUMAN	Agonist	[4]
Fatty acid synthase (FASN)	TT7AOUD	FAS_HUMAN	Inhibitor	[2]
Plasmodium Beta-hydroxyacyl-ACP dehydratase (Malaria FabZ)	TTHPFTS	Q965D7_PLAFA	Inhibitor	[2]

References

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• [13] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
• [14] Inhibition of fatty acid biosynthesis prevents adipocyte lipotoxicity on human osteoblasts in vitro. J Cell Mol Med. 2010 Apr;14(4):982-91.
• [15] Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation. ACS Med Chem Lett. 2013 January 10; 4(1): 113-117.
• [16] Fatty Acid Synthase Inhibitor TVB-2640 Reduces Hepatic de Novo Lipogenesis in Males With Metabolic Abnormalities. Hepatology. 2020 Jul;72(1):103-118.
• [17] Novel antifungal agents, targets or therapeutic strategies for the treatment of invasive fungal diseases: a review of the literature (2005-2009). Rev Iberoam Micol. 2009 Mar 31;26(1):15-22.
• [18] Identification of an agonist ligand for estrogen-related receptors ERRbeta/gamma. Bioorg Med Chem Lett. 2005 Mar 1;15(5):1311-3.
• [19] Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma. J Med Chem. 2005 May 5;48(9):3107-9.
• [20] 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: 622).
• [21] Suppression of adrenal function by low-dose prednisone: assessment with 24-hour urinary steroid hormone profiles--a review of five cases. Altern Med Rev. 2006 Mar;11(1):40-6.
• [22] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007199)
• [23] Dexamethasone treatment in childhood bacterial meningitis in Malawi: a randomised controlled trial. Lancet. 2002 Jul 20;360(9328):211-8.
• [24] Use of the steroid derivative RPR 106541 in combination with site-directed mutagenesis for enhanced cytochrome P-450 3A4 structure/function analysis. J Pharmacol Exp Ther. 1999 Aug;290(2):594-602.
• [25] Direct activation of GABAA receptors by loreclezole, an anticonvulsant drug with selectivity for the beta-subunit. Neuropharmacology. 1996;35(12):1753-60.
• [26] The effect of six months treatment with a 100 mg daily dose of dehydroepiandrosterone (DHEA) on circulating sex steroids, body composition and muscle strength in age-advanced men and women. Clin Endocrinol (Oxf). 1998 Oct;49(4):421-32.