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

General Information of Drug (ID: DMV8SUM)

• Drug Name: Desmosterol Drug Info
• Synonyms: DESMOSTEROL; 24-Dehydrocholesterol; 313-04-2; UNII-ANP93865R8; cholest-5,24-dien-3beta-ol; Cholesta-5,24-dien-3beta-ol; NSC 226126; CHEBI:17737; 3beta-cholesta-5,24-dien-3-ol; ANP93865R8; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Cholesta-5,24-dien-3-ol; desmesterol; EINECS 206-236-2; 24-dehydro Cholesterol; 24,25-Dehydrocholesterol; AC1L97ME; Cholesta-5,24-dien-3b-ol; 5,24-Cholestadien-3beta-ol; 5,24-Cholestadien-3

Indication

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

• Cross-matching ID:
  PubChem CID: 439577
  ChEBI ID: CHEBI:17737
  CAS Number: CAS 313-04-2
  TTD Drug ID: DMV8SUM
  INTEDE Drug ID: DR0437

Molecule-Related Drug Atlas

Drug(s) Targeting Oxysterols receptor LXR-beta (NR1H2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
VTB-38543	DMNY3J0	Atopic dermatitis	EA80	Phase 2	[6]
2-Propanol, Isopropanol	DML5O0H	Discovery agent	N.A.	Investigative	[7]
L-783483	DM6OTGE	Discovery agent	N.A.	Investigative	[8]
WAY-214950	DM8ODI7	Discovery agent	N.A.	Investigative	[9]
27-hydroxycholesterol	DM2L6OZ	Discovery agent	N.A.	Investigative	[10]
22R-hydroxycholesterol	DME8273	Discovery agent	N.A.	Investigative	[11]
GSK-9772	DM4WS3R	Discovery agent	N.A.	Investigative	[12]
Riccardin C	DM6MYGX	Discovery agent	N.A.	Investigative	[13]
2-benzyl-4,5,6,7-tetrachloroisoindoline-1,3-dione	DMH76SO	Discovery agent	N.A.	Investigative	[14]
AZ12260493	DMQ5H2V	Discovery agent	N.A.	Investigative	[15]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Chenodiol	DMQ8JIK	Cholelithiasis	DC11	Approved	[16]
Guggulsterone	DMP7LK1	Osteoarthritis	FA00-FA05	Approved	[17]
Obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[18]
Bevacizumab + Trastuzumab	DM9CEI5	Breast cancer	2C60-2C65	Phase 3	[16]
GS-9674	DM936V7	Primary sclerosing cholangitis	DB96.2	Phase 3	[19]
Apomine	DM6B9HP	Osteopetrosis	LD24.10	Phase 2	[20]
LJN452	DM3XRUH	Primary biliary cholangitis	DB96.1	Phase 2	[21]
EYP001	DM5PBLM	Non-alcoholic steatohepatitis	DB92.1	Phase 2	[22]
EDP-305	DMGJYZ8	Non-alcoholic steatohepatitis	DB92.1	Phase 2	[23]
LMB763	DMQOXNL	Diabetic nephropathy	GB61.Z	Phase 2	[24]

Drug(s) Targeting Oxysterols receptor LXR-alpha (NR1H3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
US9073931, E2	DMK9FJG	N. A.	N. A.	Patented	[25]
BDBM50177019	DMEL28G	N. A.	N. A.	Patented	[26]
US9006244, E2b	DMP0TBO	N. A.	N. A.	Patented	[27]
US9073931, E1	DM2Z43I	N. A.	N. A.	Patented	[25]
US9006244, E1	DMBF1C0	N. A.	N. A.	Patented	[27]
BDBM50177012	DM52IQF	N. A.	N. A.	Patented	[26]
US9006244, E2a	DMPDF9B	N. A.	N. A.	Patented	[27]
67S	DMJL1MB	N. A.	N. A.	Patented	[26]
US9073931, E3	DMCYM8P	N. A.	N. A.	Patented	[25]
L-783483	DM6OTGE	Discovery agent	N.A.	Investigative	[8]

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	Agonist	[2]
Oxysterols receptor LXR-alpha (NR1H3)	TTECBXN	NR1H3_HUMAN	Agonist	[3]
Oxysterols receptor LXR-beta (NR1H2)	TTXA6PH	NR1H2_HUMAN	Agonist	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Delta(24)-sterol reductase (DHCR24)	DEAXY04	DHC24_HUMAN	Substrate	[4]
Sterol Delta(7)-reductase (DHCR7)	DEL7GFA	DHCR7_HUMAN	Substrate	[5]

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: 2748).
• [2] Identification of farnesoid X receptor beta as a novel mammalian nuclear receptor sensing lanosterol. Mol Cell Biol. 2003 Feb;23(3):864-72.
• [3] Sterol intermediates from cholesterol biosynthetic pathway as liver X receptor ligands. J Biol Chem. 2006 Sep 22;281(38):27816-26.
• [4] Alzheimer's disease: brain desmosterol levels. J Alzheimers Dis. 2013;33(3):881-8.
• [5] Inhibitors of 7-dehydrocholesterol reductase: screening of a collection of pharmacologically active compounds in Neuro2a cells. Chem Res Toxicol. 2016 May 16;29(5):892-900.
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [8] A novel liver X receptor agonist establishes species differences in the regulation of cholesterol 7alpha-hydroxylase (CYP7a). Endocrinology. 2002 Jul;143(7):2548-58.
• [9] Indazole-based liver X receptor (LXR) modulators with maintained atherosclerotic lesion reduction activity but diminished stimulation of hepatic tr... J Med Chem. 2008 Nov 27;51(22):7161-8.
• [10] 27-hydroxycholesterol is an endogenous ligand for liver X receptor in cholesterol-loaded cells. J Biol Chem. 2001 Oct 19;276(42):38378-87.
• [11] An oxysterol signalling pathway mediated by the nuclear receptor LXR alpha. Nature. 1996 Oct 24;383(6602):728-31.
• [12] Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity. J Med Chem. 2008 Sep 25;51(18):5758-65.
• [13] Co-existence of alpha-glucosidase-inhibitory and liver X receptor-regulatory activities and their separation by structural development. Bioorg Med Chem. 2008 Apr 15;16(8):4272-85.
• [14] Liver X receptor antagonists with a phthalimide skeleton derived from thalidomide-related glucosidase inhibitors. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3957-61.
• [15] 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. (Target id: 601).
• [16] 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.
• [17] 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.
• [18] 2016 FDA drug approvals. Nat Rev Drug Discov. 2017 Feb 2;16(2):73-76.
• [19] 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.
• [20] 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.
• [21] FXR modulators for enterohepatic and metabolic diseases.Expert Opin Ther Pat. 2018 Nov;28(11):765-782.
• [22] Clinical pipeline report, company report or official report of ENYO Pharma.
• [23] 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.
• [24] Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2020 Apr 23;63(8):3868-3880.
• [25] Liver X receptor modulators. US9073931.
• [26] Piperazine derivatives as liver X receptor modulators. US10144715.
• [27] Liver X receptor modulators. US9006244.