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

General Information of Drug (ID: DMP7LK1)

• Drug Name: Guggulsterone Drug Info
• Synonyms: Guggulsterone E; (E)-Guggulsterone; E-Guggulsterone; Guggulsterones E; trans-Guggulsterone; 39025-24-6; Pregna-4,17-diene-3,16-dione; UNII-9B259YE66O; (17E)-Pregna-4,17(20)-diene-3,16-dione; Z-Guggulsterone; CHEMBL402063; 95975-55-6; 9B259YE66O; (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione; E-Guggulsteron; Pregna-4,17(20)-diene-3,16-dione; Guggulsterone, (E)-; Guglip; Z/E-Guggulsterone; Pregna-4,17(20)-diene-3,16-dione, (17E)-; Guggulsterone E; Guggulsterones Z; Cis-Guggulsterone; Trans-Guggulsterone; (17E)-pregna-4,17-diene-3,16-dione; (17Z)-Pregna-4,17(20)-diene-3,16-dione; (17Z)-pregna-4,17-diene-3,16-dione; (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione; (Z)-Guggulsterone; 4,17(20)-cis-Pregnadiene-3,16-dione; E-GUGGULSTERONE

Indication

Disease Entry	ICD 11	Status	REF
Osteoarthritis	FA00-FA05	Approved	[1]

• Therapeutic Class: Antiinflammatory Agents
• Cross-matching ID:
  PubChem CID: 6450278
  ChEBI ID: CHEBI:135338
  CAS Number: CAS 39025-23-5
  TTD Drug ID: DMP7LK1
  VARIDT Drug ID: DR01481

Molecule-Related Drug Atlas

Drug(s) Targeting Farnesoid X-activated receptor (FXR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Chenodiol	DMQ8JIK	Cholelithiasis	DC11	Approved	[4]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[5]
GS-9674	DM936V7	Primary sclerosing cholangitis	DB96.2	Phase 3	[6]
Apomine	DM6B9HP	Osteopetrosis	LD24.10	Phase 2	[7]
LJN452	DM3XRUH	Primary biliary cholangitis	DB96.1	Phase 2	[8]
EYP001	DM5PBLM	Non-alcoholic steatohepatitis	DB92.1	Phase 2	[9]
EDP-305	DMGJYZ8	Non-alcoholic steatohepatitis	DB92.1	Phase 2	[10]
LMB763	DMQOXNL	Diabetic nephropathy	GB61.Z	Phase 2	[11]
MET409	DM89QXT	Non-alcoholic steatohepatitis	DB92.1	Phase 2	[12]
Turofexorate isopropyl	DM36ONA	Hyperlipidaemia	5C80	Phase 1	[13]

Drug(s) Transported By P-glycoprotein 1 (ABCB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[14]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[15]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[16]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[17]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[16]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[16]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[18]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[16]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[19]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Farnesoid X-activated receptor (FXR)	TTS4UGC	NR1H4_HUMAN	Antagonist	[2]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[3]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2745).
• [2] Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia. J Nat Prod. 2009 Jan;72(1):24-8.
• [3] Effects of plant sterols on human multidrug transporters ABCB1 and ABCC1. Biochem Biophys Res Commun. 2008 May 2;369(2):363-8.
• [4] Lithocholic acid decreases expression of bile salt export pump through farnesoid X receptor antagonist activity. J Biol Chem. 2002 Aug 30;277(35):31441-7.
• [5] 2016 FDA drug approvals. Nat Rev Drug Discov. 2017 Feb 2;16(2):73-76.
• [6] The Nonsteroidal Farnesoid X Receptor Agonist Cilofexor (GS-9674) Improves Markers of Cholestasis and Liver Injury in Patients With Primary Sclerosing Cholangitis. Hepatology. 2019 Sep;70(3):788-801.
• [7] The nuclear receptors FXR and LXRalpha: potential targets for the development of drugs affecting lipid metabolism and neoplastic diseases. Curr Pharm Des. 2001 Mar;7(4):231-59.
• [8] FXR modulators for enterohepatic and metabolic diseases.Expert Opin Ther Pat. 2018 Nov;28(11):765-782.
• [9] Clinical pipeline report, company report or official report of ENYO Pharma.
• [10] A novel non-bile acid FXR agonist EDP-305 potently suppresses liver injury and fibrosis without worsening of ductular reaction. Liver Int. 2020 Jul;40(7):1655-1669.
• [11] Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2020 Apr 23;63(8):3868-3880.
• [12] Clinical pipeline report, company report or official report of Metacrine.
• [13] A synthetic farnesoid X receptor (FXR) agonist promotes cholesterol lowering in models of dyslipidemia. Am J Physiol Gastrointest Liver Physiol. 2009 Mar;296(3):G543-52.
• [14] Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
• [15] MDR1 (ABCB1) G1199A (Ser400Asn) polymorphism alters transepithelial permeability and sensitivity to anticancer agents. Cancer Chemother Pharmacol. 2009 Jun;64(1):183-8.
• [16] Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64.
• [17] Folate transporter expression decreases in the human placenta throughout pregnancy and in pre-eclampsia. Pregnancy Hypertens. 2012 Apr;2(2):123-31.
• [18] Comparative studies on in vitro methods for evaluating in vivo function of MDR1 P-glycoprotein. Pharm Res. 2001 Dec;18(12):1660-8.
• [19] Antiestrogens and steroid hormones: substrates of the human P-glycoprotein. Biochem Pharmacol. 1994 Jul 19;48(2):287-92.
• [20] Association of genetic polymorphisms in the influx transporter SLCO1B3 and the efflux transporter ABCB1 with imatinib pharmacokinetics in patients with chronic myeloid leukemia. Ther Drug Monit. 2011 Apr;33(2):244-50.