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

General Information of Drug (ID: DMUGAT8)

• Drug Name: 2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol Drug Info
• Synonyms: CHEMBL577338; 2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol; SCHEMBL1180589

Indication

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

• Cross-matching ID:
  PubChem CID: 25192477
  TTD Drug ID: DMUGAT8

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	[1]

Drug(s) Targeting Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
NARINGENIN	DMHAZLM	N. A.	N. A.	Phase 1	[9]
Nicotinamide-Adenine-Dinucleotide	DM9LRKB	N. A.	N. A.	Investigative	[10]
2'-Monophosphoadenosine 5'-Diphosphoribose	DME9S8M	Discovery agent	N.A.	Investigative	[10]
APIGENIN	DMI3491	Discovery agent	N.A.	Investigative	[9]
KAEMPFEROL	DMHEMUB	Discovery agent	N.A.	Investigative	[9]
4-ANDROSTENE-3-17-DIONE	DMSE8NU	Discovery agent	N.A.	Investigative	[10]
6-(3-Hydroxy-phenyl)-naphthalen-2-ol	DMH8WA2	Discovery agent	N.A.	Investigative	[11]
7-(3-Hydroxy-phenyl)-naphthalen-2-ol	DM2I91C	Discovery agent	N.A.	Investigative	[7]
NSC-94258	DM6VY3P	Discovery agent	N.A.	Investigative	[9]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol	DM7ERYJ	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Debrisoquine 4-hydroxylase (CYP2D6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Glutethimide	DMGE0CW	Insomnia	7A00-7A0Z	Approved	[12]
ISOQUINE	DMR17YI	Malaria	1F40-1F45	Phase 1	[13]
ICI-199441	DMEWZ80	Discovery agent	N.A.	Investigative	[14]
ML-3163	DM3S5UC	Discovery agent	N.A.	Investigative	[6]
4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide	DM0XDG6	Discovery agent	N.A.	Investigative	[15]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole	DMZVBPG	Discovery agent	N.A.	Investigative	[8]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol	DM7ERYJ	Discovery agent	N.A.	Investigative	[1]
4-[5-(3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol	DMK4ICB	Discovery agent	N.A.	Investigative	[1]
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine	DM9UGO0	Discovery agent	N.A.	Investigative	[16]
DIHYDROCUBEBIN	DMZL7R6	Discovery agent	N.A.	Investigative	[17]

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]
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)	TTIWB6L	DHB1_HUMAN	Inhibitor	[1]

References

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• [5] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
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• [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.
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• [9] Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. J Med Chem. 2008 Jul 24;51(14):4188-99.
• [10] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [11] Substituted 6-phenyl-2-naphthols. Potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1): design,... J Med Chem. 2008 Aug 14;51(15):4685-98.
• [12] A study of the effects of large doses of glutethimide that were used for self-poisoning during pregnancy on human fetuses. Toxicol Ind Health. 2008 Feb-Mar;24(1-2):69-78.
• [13] Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for ... J Med Chem. 2009 Mar 12;52(5):1408-15.
• [14] Arylacetamide kappa opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity. Bioorg Med Chem Lett. 2005 May 16;15(10):2647-52.
• [15] Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) b... J Med Chem. 2009 Sep 24;52(18):5685-702.
• [16] Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.
• [17] Potent CYP3A4 inhibitory constituents of Piper cubeba. J Nat Prod. 2005 Jan;68(1):64-8.