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

General Information of Drug (ID: DMELOIQ)

• Drug Name: Alpha-naphthoflavone Drug Info
• Synonyms: 7,8-Benzoflavone; alpha-Naphthoflavone; 604-59-1; 2-Phenyl-4H-benzo[h]chromen-4-one; alpha-Naphthylflavone; 2-phenylbenzo[h]chromen-4-one; Benzo(h)flavone; 7,8-BF; 4H-Naphtho[1,2-b]pyran-4-one, 2-phenyl-; .alpha.-Naphthoflavone; 2-Phenyl-benzo[h]chromen-4-one; 2-Phenyl-4H-naphtho(1,2-b)pyran-4-one; CCRIS 3607; 2-Phenylbenzo(h)chromen-4-one; EINECS 210-071-1; UNII-FML65D8PY5; NSC 407011; BRN 0210862; FML65D8PY5; benzo[h]flavone; MLS003171601; CHEMBL283196; CHEBI:76995; VFMMPHCGEFXGIP-UHFFFAOYSA-N; 4H-NAPHTHO(1,2-b)PYRAN-4-ONE, 2-PH

Indication

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

• Cross-matching ID:
  PubChem CID: 11790
  ChEBI ID: CHEBI:76995
  CAS Number: CAS 604-59-1
  TTD Drug ID: DMELOIQ
  VARIDT Drug ID: DR01402

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	Hormonally-responsive breast cancer	2C60-2C65	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]
Atamestane + Toremifene	DM3QLK2	Breast cancer	2C60-2C65	Phase 3	[8]
LIAROZOLE	DM4OYXE	Dermatological disease	DA24.Y	Phase 2/3	[2]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[9]
Dextromethorphan+quinidine	DMFI5J4	Diabetic neuropathy	8C0Z	Phase 2	[10]

Drug(s) Targeting DNA-dependent protein kinase catalytic (PRKDC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
M3814	DMK2L38	Locally advanced rectal cancer	2B92	Phase 1/2	[11]
AZD7648	DMD9Y5T	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[12]
M9831	DM59TI2	Solid tumour/cancer	2A00-2F9Z	Phase 1	[11]
PP121	DMU8KTO	Discovery agent	N.A.	Investigative	[13]
LY-292223	DML36ZE	Discovery agent	N.A.	Investigative	[14]
Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate	DM3FH02	Discovery agent	N.A.	Investigative	[15]
PIK-75	DM9BQTX	Discovery agent	N.A.	Investigative	[16]
KU-0060648	DMQWS6U	Discovery agent	N.A.	Investigative	[17]
2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one	DM79ZOV	Discovery agent	N.A.	Investigative	[1]
2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one	DMAHZR9	Discovery agent	N.A.	Investigative	[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]
DNA-dependent protein kinase catalytic (PRKDC)	TTK3PY9	PRKDC_HUMAN	Inhibitor	[1]

References

• [1] Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and... J Med Chem. 2005 Jan 27;48(2):569-85.
• [2] 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.
• [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] Toremifene-atamestane; alone or in combination: predictions from the preclinical intratumoral aromatase model. J Steroid Biochem Mol Biol. 2008 Jan;108(1-2):1-7.
• [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] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
• [11] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [12] AZD7648 is a potent and selective DNA-PK inhibitor that enhances radiation, chemotherapy and olaparib activity. Nat Commun. 2019 Nov 7;10(1):5065.
• [13] Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat Chem Biol. 2008 Nov;4(11):691-9.
• [14] Identification of a highly potent and selective DNA-dependent protein kinase (DNA-PK) inhibitor (NU7441) by screening of chromenone libraries. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6083-7.
• [15] Discovery of potent chromen-4-one inhibitors of the DNA-dependent protein kinase (DNA-PK) using a small-molecule library approach. J Med Chem. 2005 Dec 1;48(24):7829-46.
• [16] A pharmacological map of the PI3-K family defines a role for p110alpha in insulin signaling. Cell. 2006 May 19;125(4):733-47.
• [17] 1-substituted (Dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-ones endowed with dual DNA-PK/PI3-K inhibitory activity. J Med Chem. 2013 Aug 22;56(16):6386-401.