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

General Information of Drug (ID: DM7WDAG)

• Drug Name: YM-511 Drug Info
• Synonyms: YM 511; YM511 (pharmaceutical); 148869-05-0; YM-511; Benzonitrile,4-[[(4-bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]-; 4-[[(4-BROMOPHENYL)METHYL]-4H-1,2,4-TRIAZOL-4-YLAMINO]BENZONITRILE; YM511; ACMC-20n5jr; SCHEMBL544997; CHEMBL108425; AC1L430I; CTK4C5946; BDBM10016; DTXSID50164121; GGPPBTSXFROGAE-UHFFFAOYSA-N; MolPort-023-276-728; ZINC598425; AKOS024457519; B5405; 4-[N-(4-bromobenzyl)-N-(4-cyanophenyl)amino]-4H-1,2,4-triazole; 4-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile; Benzonitrile, 4-(((4-bromophenyl

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Discontinued in Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 177865
  CAS Number: CAS 148869-05-0
  TTD Drug ID: DM7WDAG

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	[4]
Letrozole	DMH07Y3	Estrogen-receptor positive breast cancer		Approved	[5]
Exemestane	DM9HPW3	Hormonally-responsive breast cancer	2C60-2C65	Approved	[5]
Aminoglutethimide	DMWFHMZ	Cushing disease	5A70	Approved	[6]
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[7]
Testolactone	DMVY4GN	Breast cancer	2C60-2C65	Approved	[8]
LIAROZOLE	DM4OYXE	Dermatological disease	DA24.Y	Phase 2/3	[9]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[10]
BGS-649	DMO4MNQ	Endometriosis	GA10	Phase 2	[11]
NARINGENIN	DMHAZLM	N. A.	N. A.	Phase 1	[9]
Letrozole	DMH07Y3	Estrogen-receptor positive breast cancer		Approved	[12]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[13]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[14]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[15]
Citalopram	DM2G9AE	Acute coronary syndrome	BA41	Approved	[14]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[16]
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[17]
Bifonazole	DM3KN7V	Fungal infection	1F29-1F2F	Approved	[18]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[19]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aromatase (CYP19A1)	OTZ6XF74	CP19A_HUMAN	Gene/Protein Processing	[3]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002721)
• [2] First dual aromatase-steroid sulfatase inhibitors. J Med Chem. 2003 Jul 17;46(15):3193-6.
• [3] Early phase II study of the new aromatase inhibitor YM511 in postmenopausal patients with breast cancer. Difficulty in clinical dose recommendation based on preclinical and phase I findings. Anticancer Res. 2003 Jul-Aug;23(4):3533-42.
• [4] 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.
• [5] Aromatase inhibitors--theoretical concept and present experiences in the treatment of endometriosis. Zentralbl Gynakol. 2003 Jul-Aug;125(7-8):247-51.
• [6] Aminoglutethimide-induced protein free radical formation on myeloperoxidase: a potential mechanism of agranulocytosis. Chem Res Toxicol. 2007 Jul;20(7):1038-45.
• [7] Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach. J Med Chem. 2005 Nov 17;48(23):7282-9.
• [8] Aromatase inhibitors for male infertility. J Urol. 2002 Feb;167(2 Pt 1):624-9.
• [9] 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.
• [10] 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.
• [11] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032111)
• [12] Aromatase inhibition: translation into a successful therapeutic approach. Clin Cancer Res. 2005 Apr 15;11(8):2809-21. doi: 10.1158/1078-0432.CCR-04-2187.
• [13] Cannabidiol (CBD) but not tetrahydrocannabinol (THC) dysregulate in vitro decidualization of human endometrial stromal cells by disruption of estrogen signaling. Reprod Toxicol. 2020 Apr;93:75-82. doi: 10.1016/j.reprotox.2020.01.003. Epub 2020 Jan 14.
• [14] Effects of selective serotonin reuptake inhibitors on three sex steroids in two versions of the aromatase enzyme inhibition assay and in the H295R cell assay. Toxicol In Vitro. 2015 Oct;29(7):1729-35.
• [15] Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
• [16] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [17] Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase. J Med Chem. 2005 Mar 10;48(5):1563-75.
• [18] Comparative assessment of the inhibition of recombinant human CYP19 (aromatase) by azoles used in agriculture and as drugs for humans. Endocr Res. 2004 Aug;30(3):387-94.
• [19] Estrogen synthesis in human colon cancer epithelial cells. J Steroid Biochem Mol Biol. 1999 Dec 31;71(5-6):223-30.