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

General Information of Drug (ID: DM2RIHT)

• Drug Name: 5-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyrimidine Drug Info
• Synonyms: AC1O706P; CHEMBL195248; SCHEMBL4225537; SCHEMBL4225546; BDBM8631; (5-pyrimidylmethylene)indane 28a; ZINC13535842; 5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyrimidine

Indication

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

• Cross-matching ID:
  PubChem CID: 6539805
  TTD Drug ID: DM2RIHT

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

Drug(s) Targeting Steroid 11-beta-hydroxylase (CYP11B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[10]
Osilodrostat	DMIJC9X	Cushing disease	5A70	Approved	[11]
Metyrapone	DMI7FVQ	Cushing disease	5A70	Approved	[12]
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol	DM6Z5EK	Discovery agent	N.A.	Investigative	[13]
4-Indan-(1Z)-ylidenemethyl-pyridine	DM25DR7	Discovery agent	N.A.	Investigative	[1]
4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine	DMIEMWA	Discovery agent	N.A.	Investigative	[13]
4-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyridine	DMY08FE	Discovery agent	N.A.	Investigative	[1]
4-((1H-imidazol-1-yl)methyl)benzonitrile	DMFUBRC	Discovery agent	N.A.	Investigative	[10]
4-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine	DMHDZUO	Discovery agent	N.A.	Investigative	[1]
4-[5-Bromo-indan-(1Z)-ylidenemethyl]-pyridine	DMQKHXN	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Steroid 17-alpha-monooxygenase (S17AH)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Abiraterone acetate	DMANBZI	Prostate cancer	2C82.0	Approved	[14]
ABIRATERONE	DM8V75C	Prostate cancer	2C82.0	Approved	[15]
TAK-700	DM2H8FZ	Prostate cancer	2C82.0	Phase 3	[16]
TAVT-45	DMHBRGT	Prostate cancer	2C82.0	Phase 3	[17]
Seviteronel	DM9IMEZ	Breast cancer	2C60-2C65	Phase 2	[18]
CFG920	DM2BXDU	Prostate cancer	2C82.0	Phase 1/2	[19]
DST-2970	DM69ZBU	Prostate cancer	2C82.0	Phase 1	[20]
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol	DM6Z5EK	Discovery agent	N.A.	Investigative	[13]
4-Indan-(1Z)-ylidenemethyl-pyridine	DM25DR7	Discovery agent	N.A.	Investigative	[1]
4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine	DMIEMWA	Discovery agent	N.A.	Investigative	[13]

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]
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]
Steroid 17-alpha-monooxygenase (S17AH)	TTRA5BZ	CP17A_HUMAN	Inhibitor	[1]

References

• [1] Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitor... J Med Chem. 2005 Mar 10;48(5):1563-75.
• [2] 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.
• [3] Aromatase inhibitors--theoretical concept and present experiences in the treatment of endometriosis. Zentralbl Gynakol. 2003 Jul-Aug;125(7-8):247-51.
• [4] Aminoglutethimide-induced protein free radical formation on myeloperoxidase: a potential mechanism of agranulocytosis. Chem Res Toxicol. 2007 Jul;20(7):1038-45.
• [5] Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach. J Med Chem. 2005 Nov 17;48(23):7282-9.
• [6] Aromatase inhibitors for male infertility. J Urol. 2002 Feb;167(2 Pt 1):624-9.
• [7] 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.
• [8] 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.
• [9] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032111)
• [10] Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). J Med Chem. 2010 Feb 25;53(4):1712-25.
• [11] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [12] Effects of 3-MeSO2-DDE and some CYP inhibitors on glucocorticoid steroidogenesis in the H295R human adrenocortical carcinoma cell line. Toxicol In Vitro. 2002 Apr;16(2):113-21.
• [13] Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prosta... J Med Chem. 2010 Aug 12;53(15):5749-58.
• [14] CYP17A1 inhibitors in castration-resistant prostate cancer.Steroids.2015 Mar;95:80-7.
• [15] 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4.
• [16] Orteronel (TAK-700), a novel non-steroidal 17,20-lyase inhibitor: effects on steroid synthesis in human and monkey adrenal cells and serum steroid levels in cynomolgus monkeys. J Steroid Biochem Mol Biol. 2012 Apr;129(3-5):115-28.
• [17] Clinical pipeline report, company report or official report of Tavanta Therapeutics
• [18] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [19] Recent progress in pharmaceutical therapies for castration-resistant prostate cancer. Int J Mol Sci. 2013 Jul 4;14(7):13958-78.
• [20] Clinical pipeline report, company report or official report of DisperSol Technologies.