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

General Information of Drug (ID: DM4UW65)

• Drug Name: 7-hydroxy-2-phenylchroman-4-one Drug Info
• Synonyms: 7-Hydroxyflavanone; 6515-36-2; 7-Hydroxy-2-phenylchroman-4-one; 7-Hydroxyflavanone, 98%; CHEMBL97542; CHEBI:34483; SWAJPHCXKPCPQZ-UHFFFAOYSA-N; 7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one; MFCD00017487; 2,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl-; 7-hydroxy-2-phenyl-4-chromanone; 2545-13-3; 7-hydroxy-flavanone; AC1L1CGO; AC1Q6KJV; ACMC-1B5B3; Oprea1_401356; MLS001181922; SCHEMBL130266; DTXSID0022430; CTK4F5779; MolPort-002-903-717; HMS2865F07; HMS1664L06

Indication

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

• Cross-matching ID:
  PubChem CID: 1890
  ChEBI ID: CHEMBL97542
  CAS Number: CAS 6515-36-2
  TTD Drug ID: DM4UW65

Molecule-Related Drug Atlas

Drug(s) Targeting Aromatase (CYP19A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Anastrozole	DMNP60F	Breast cancer	2C60-2C65	Approved	[3]
Letrozole	DMH07Y3	Estrogen-receptor positive breast cancer		Approved	[4]
Exemestane	DM9HPW3	Hormonally-responsive breast cancer	2C60-2C65	Approved	[4]
Aminoglutethimide	DMWFHMZ	Cushing disease	5A70	Approved	[5]
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[6]
Testolactone	DMVY4GN	Breast cancer	2C60-2C65	Approved	[7]
LIAROZOLE	DM4OYXE	Dermatological disease	DA24.Y	Phase 2/3	[8]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[9]
BGS-649	DMO4MNQ	Endometriosis	GA10	Phase 2	[10]
NARINGENIN	DMHAZLM	N. A.	N. A.	Phase 1	[8]

Drug(s) Affected By Sex hormone-binding globulin (SHBG)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Levonorgestrel	DM1DP7T	Atypical endometrial hyperplasia		Approved	[11]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[12]
Fructose	DM43AN2	Vomiting	MD90	Approved	[13]
Oxcarbazepine	DM5PU6O	Epilepsy	8A60-8A68	Approved	[14]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[2]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[15]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[16]
Dienestrol	DMBSXI0	Atrophic vaginitis	GA30.2	Approved	[2]
Hesperetin	DMKER83	High blood cholesterol level	5C80.00	Approved	[2]
Masoprocol	DMMVNZ0	Prostate cancer	2C82.0	Approved	[2]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Sex hormone-binding globulin (SHBG)	OTPWU5IW	SHBG_HUMAN	Protein Interaction/Cellular Processes	[2]

References

• [1] New 7,8-benzoflavanones as potent aromatase inhibitors: synthesis and biological evaluation. Bioorg Med Chem. 2008 Feb 1;16(3):1474-80.
• [2] Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and -fetoprotein. Toxicol Sci. 2015 Feb;143(2):333-48. doi: 10.1093/toxsci/kfu231. Epub 2014 Oct 27.
• [3] Effective aromatase inhibition by anastrozole in a patient with gonadotropin-independent precocious puberty in McCune-Albright syndrome. J Pediatr Endocrinol Metab. 2002;15 Suppl 3:945-8.
• [4] Aromatase inhibitors--theoretical concept and present experiences in the treatment of endometriosis. Zentralbl Gynakol. 2003 Jul-Aug;125(7-8):247-51.
• [5] Aminoglutethimide-induced protein free radical formation on myeloperoxidase: a potential mechanism of agranulocytosis. Chem Res Toxicol. 2007 Jul;20(7):1038-45.
• [6] Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach. J Med Chem. 2005 Nov 17;48(23):7282-9.
• [7] Aromatase inhibitors for male infertility. J Urol. 2002 Feb;167(2 Pt 1):624-9.
• [8] Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.
• [9] Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template. J Med Chem. 2010 Mar 11;53(5):2155-70.
• [10] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032111)
• [11] Serum distribution of the major metabolites of norgestimate in relation to its pharmacological properties. Contraception. 2003 Feb;67(2):93-9. doi: 10.1016/s0010-7824(02)00473-0.
• [12] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [13] Monosaccharide-induced lipogenesis regulates the human hepatic sex hormone-binding globulin gene. J Clin Invest. 2007 Dec;117(12):3979-87. doi: 10.1172/JCI32249.
• [14] Reproductive effects of valproate, carbamazepine, and oxcarbazepine in men with epilepsy. Neurology. 2001 Jan 9;56(1):31-6. doi: 10.1212/wnl.56.1.31.
• [15] Testosterone or 17{beta}-estradiol exposure reveals sex-specific effects on glucose and lipid metabolism in human myotubes. J Endocrinol. 2011 Aug;210(2):219-29. doi: 10.1530/JOE-10-0497. Epub 2011 Jun 1.
• [16] Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.