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

General Information of Drug (ID: DMHO56W)

Drug Name

Equilenin Drug Info

Synonyms

EQUILENIN; 517-09-9; UNII-W8FTJ17C4J; 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one; W8FTJ17C4J; Equilenina [Spanish]; 3-hydroxy-estra-1,3,5(10),6,8-pentaen-17-one; CCRIS 9075; Equilenin solution; EINECS 208-230-5; (13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one; BRN 2335367; EQU; 3-Hydroxyoestra-1,3,5(10),6,8-pentaen-17-one; 1ogz; 1ogx; 1w6y; AC1L9H0U; 4-08-00-01420 (Beilstein Handbook Reference); SCHEMBL120922; CHEMBL225546; DTXSID2052156; CTK8F9475; ZINC393154; LMST02010007; BDBM50423545

Indication

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

Cross-matching ID

PubChem CID: 444865
ChEBI ID: CHEMBL34739
CAS Number: CAS 517-09-9
TTD Drug ID: DMHO56W
INTEDE Drug ID: DR0594

Molecule-Related Drug Atlas

Molecule Type:

DTT

DME

Drug Status:

Investigative Drug(s)

Approved Drug(s)

Download the Complete Related Drug List

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]
5alpha-Androstan-3,17-Dione	DMHI7Y2	Discovery agent	N.A.	Investigative	[1]
4-MA	DMNCVIP	Discovery agent	N.A.	Investigative	[3]
17 beta-N,N-diethylcarbamoyl-4-aza-5 alpha-androstan-3-one (4MA)	DMDR1M6	Discovery agent	N.A.	Investigative	[4]
Epostane	DMV8PB4	Abortion	JA00	Investigative	[5]
------------------------------------------------------------------------------------


⏷ Show the Full List of 6 Drug(s)

Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[6]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[7]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[8]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[9]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[10]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[11]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[12]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[13]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[7]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[14]
------------------------------------------------------------------------------------


⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

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

------------------------------------------------------------------------------------

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)^{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[2]

------------------------------------------------------------------------------------

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	The naphthol selective estrogen receptor modulator (SERM), LY2066948, is oxidized to an o-quinone analogous to the naphthol equine estrogen, equilenin. Chem Biol Interact. 2012 Mar 5;196(1-2):1-10.
3	Activity and inhibition of 3-beta-hydroxysteroid dehydrogenase/delta-5-4-isomerase in human skin. Skin Pharmacol. 1997;10(3):160-8.
4	Inhibition of 3 beta-hydroxysteroid-dehydrogenase: an approach for prostate cancer treatment Anticancer Res. 1995 Jul-Aug;15(4):1349-54.
5	Termination of early pregnancy by the 3 beta-hydroxysteroid dehydrogenase inhibitor epostane. N Engl J Med. 1988 Sep 29;319(13):813-7.
6	Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
7	Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
8	Comprehensive evaluation of tamoxifen sequential biotransformation by the human cytochrome P450 system in vitro: prominent roles for CYP3A and CYP2D6. J Pharmacol Exp Ther. 2004 Sep;310(3):1062-75.
9	Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
10	Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
11	Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
12	Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
13	The metabolism of zidovudine by human liver microsomes in vitro: formation of 3'-amino-3'-deoxythymidine. Biochem Pharmacol. 1994 Jul 19;48(2):267-76.
14	Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.