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

General Information of Drug (ID: DMIM5DL)

• Drug Name: 6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one Drug Info
• Synonyms: CHEMBL462093; 6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one; 2(1H)-Naphthalenone,3,4-dihydro-6-(3-pyridinyl)-; BDBM50273703

Indication

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

• Cross-matching ID:
  PubChem CID: 25180108
  TTD Drug ID: DMIM5DL

Molecule-Related Drug Atlas

Drug(s) Targeting Albendazole monooxygenase (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[2]
PMX-53	DMZUAJ4	Atopic dermatitis	EA80	Phase 2	[3]
BMS-536924	DMXJB4N	Discovery agent	N.A.	Investigative	[4]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[5]
ML-3163	DM3S5UC	Discovery agent	N.A.	Investigative	[6]
6-(3-Hydroxy-phenyl)-naphthalen-2-ol	DMH8WA2	Discovery agent	N.A.	Investigative	[7]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole	DMZVBPG	Discovery agent	N.A.	Investigative	[8]
ML-3375	DMXJY6W	Discovery agent	N.A.	Investigative	[6]
ML-3403	DMTQWI8	Discovery agent	N.A.	Investigative	[6]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol	DM7ERYJ	Discovery agent	N.A.	Investigative	[9]

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	[14]
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	[14]
5-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyrimidine	DM2RIHT	Discovery agent	N.A.	Investigative	[14]
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	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Albendazole monooxygenase (CYP3A4)	TTXV4FI	CP3A4_HUMAN	Inhibitor	[1]
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]

References

• [1] In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-... J Med Chem. 2008 Dec 25;51(24):8077-87.
• [2] Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. Eur J Med Chem. 2008 Aug;43(8):1621-31.
• [3] Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92.
• [4] Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)py... J Med Chem. 2008 Oct 9;51(19):5897-900.
• [5] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [6] Novel substituted pyridinyl imidazoles as potent anticytokine agents with low activity against hepatic cytochrome P450 enzymes. J Med Chem. 2003 Jul 17;46(15):3230-44.
• [7] Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors... J Med Chem. 2008 Apr 10;51(7):2158-69.
• [8] Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active hi... J Med Chem. 2010 May 13;53(9):3840-4.
• [9] New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43.
• [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] 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.