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

General Information of Drug (ID: DMHI7Y2)

• Drug Name: 5alpha-Androstan-3,17-Dione Drug Info
• Synonyms: Androstanedione; 5alpha-Androstane-3,17-dione; 846-46-8; 5alpha-Androstan-3,17-dione; 5a-Androstanedione; 5-alpha-Androstane-3,17-dione; Dihydroandrostendione; 5alpha-Androstanedione; UNII-2KR72RNR8Z; Androstane-3,17-dione; 5.alpha.-Androstanedione; dihydroandrostenedione; 5a-Androstane-3,17-dione; 2KR72RNR8Z; A-androstane-3,17-dione; CHEMBL1230438; CHEBI:15994; 5.alpha.-Androsta-3,17-dione; RAJWOBJTTGJROA-WZNAKSSCSA-N; Androstane-3,17-dione, (5alpha)-; 5.alpha.-Androstane-3,17-dione; Androstane-3, (5.alpha.)-

Indication

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

• Cross-matching ID:
  PubChem CID: 222865
  ChEBI ID: CHEBI:15994
  CAS Number: CAS 846-46-8
  TTD Drug ID: DMHI7Y2

Molecule-Related Drug Atlas

Drug(s) Targeting Hydroxysteroid dehydrogenase 3-beta (HSD3B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
2-Sulfhydryl-Ethanol	DMJBO3D	Discovery agent	N.A.	Investigative	[1]
4-ANDROSTENE-3-17-DIONE	DMSE8NU	Discovery agent	N.A.	Investigative	[1]
Equilenin	DMHO56W	Discovery agent	N.A.	Investigative	[1]
4-MA	DMNCVIP	Discovery agent	N.A.	Investigative	[2]
17 beta-N,N-diethylcarbamoyl-4-aza-5 alpha-androstan-3-one (4MA)	DMDR1M6	Discovery agent	N.A.	Investigative	[3]
Epostane	DMV8PB4	Abortion	JA00	Investigative	[4]

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	[5]
Nicotinamide-Adenine-Dinucleotide	DM9LRKB	N. A.	N. A.	Investigative	[1]
2'-Monophosphoadenosine 5'-Diphosphoribose	DME9S8M	Discovery agent	N.A.	Investigative	[1]
APIGENIN	DMI3491	Discovery agent	N.A.	Investigative	[5]
KAEMPFEROL	DMHEMUB	Discovery agent	N.A.	Investigative	[5]
4-ANDROSTENE-3-17-DIONE	DMSE8NU	Discovery agent	N.A.	Investigative	[1]
6-(3-Hydroxy-phenyl)-naphthalen-2-ol	DMH8WA2	Discovery agent	N.A.	Investigative	[6]
7-(3-Hydroxy-phenyl)-naphthalen-2-ol	DM2I91C	Discovery agent	N.A.	Investigative	[7]
NSC-94258	DM6VY3P	Discovery agent	N.A.	Investigative	[5]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol	DM7ERYJ	Discovery agent	N.A.	Investigative	[8]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)	TTIWB6L	DHB1_HUMAN	Inhibitor	[1]
Hydroxysteroid dehydrogenase 3-beta (HSD3B)	TTZT9R2	3BHS1_HUMAN; 3BHS2_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Activity and inhibition of 3-beta-hydroxysteroid dehydrogenase/delta-5-4-isomerase in human skin. Skin Pharmacol. 1997;10(3):160-8.
• [3] Inhibition of 3 beta-hydroxysteroid-dehydrogenase: an approach for prostate cancer treatment Anticancer Res. 1995 Jul-Aug;15(4):1349-54.
• [4] Termination of early pregnancy by the 3 beta-hydroxysteroid dehydrogenase inhibitor epostane. N Engl J Med. 1988 Sep 29;319(13):813-7.
• [5] 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.
• [6] 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.
• [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] 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.