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

General Information of Drug (ID: DM8ODI7)

• Drug Name: WAY-214950 Drug Info
• Synonyms: WAY-214950; SCHEMBL1407572; JMC517161 Compound 13; CHEMBL457977; BDBM26067

Indication

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

• Cross-matching ID:
  PubChem CID: 25113722
  CAS Number: CAS 875787-08-9
  TTD Drug ID: DM8ODI7

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	[2]
2-Propanol, Isopropanol	DML5O0H	Discovery agent	N.A.	Investigative	[3]
Desmosterol	DMV8SUM	Discovery agent	N.A.	Investigative	[4]
L-783483	DM6OTGE	Discovery agent	N.A.	Investigative	[5]
27-hydroxycholesterol	DM2L6OZ	Discovery agent	N.A.	Investigative	[6]
22R-hydroxycholesterol	DME8273	Discovery agent	N.A.	Investigative	[7]
GSK-9772	DM4WS3R	Discovery agent	N.A.	Investigative	[8]
Riccardin C	DM6MYGX	Discovery agent	N.A.	Investigative	[9]
2-benzyl-4,5,6,7-tetrachloroisoindoline-1,3-dione	DMH76SO	Discovery agent	N.A.	Investigative	[10]
AZ12260493	DMQ5H2V	Discovery agent	N.A.	Investigative	[11]

Drug(s) Targeting Glucocorticoid receptor messenger RNA (GCR mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CORT125281	DMHBOUX	Prostate cancer	2C82.0	Phase 2	[12]
VBP15	DM047HI	Duchenne dystrophy	8C70	Phase 2	[13]
ISIS-GCCR	DMICMNU	Diabetic complication	5A2Y	Phase 2	[14]
ORIC-101	DMR12S0	Solid tumour/cancer	2A00-2F9Z	Phase 1	[12]
AZD9567	DMAXHC0	Rheumatoid arthritis	FA20	Phase 1	[13]
A-348441	DM25CBW	Type-2 diabetes	5A11	Phase 1	[15]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[16]
(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE	DMTPQ84	Discovery agent	N.A.	Investigative	[17]
Deoxycorticosterone	DMW6YLS	Discovery agent	N.A.	Investigative	[17]
LGD-5552	DM67KWM	Discovery agent	N.A.	Investigative	[18]

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	[19]
BDBM50177019	DMEL28G	N. A.	N. A.	Patented	[20]
US9006244, E2b	DMP0TBO	N. A.	N. A.	Patented	[21]
US9073931, E1	DM2Z43I	N. A.	N. A.	Patented	[19]
US9006244, E1	DMBF1C0	N. A.	N. A.	Patented	[21]
BDBM50177012	DM52IQF	N. A.	N. A.	Patented	[20]
US9006244, E2a	DMPDF9B	N. A.	N. A.	Patented	[21]
67S	DMJL1MB	N. A.	N. A.	Patented	[20]
US9073931, E3	DMCYM8P	N. A.	N. A.	Patented	[19]
Desmosterol	DMV8SUM	Discovery agent	N.A.	Investigative	[4]

Drug(s) Targeting Pregnane X receptor (NR1I2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hyperforin	DM2L3PE	Discovery agent	N.A.	Investigative	[22]
3-keto-lithocholic acid	DM5LUED	Discovery agent	N.A.	Investigative	[23]
pregnenolone-16alpha-carbonitrile	DM0LW7G	Discovery agent	N.A.	Investigative	[24]
trihydroxycholestane	DMSP56N	Discovery agent	N.A.	Investigative	[25]
schisandrin A	DMWQ480	Discovery agent	N.A.	Investigative	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucocorticoid receptor messenger RNA (GCR mRNA)	TTOZRK6	GCR_HUMAN	Inhibitor	[1]
Oxysterols receptor LXR-alpha (NR1H3)	TTECBXN	NR1H3_HUMAN	Inhibitor	[1]
Oxysterols receptor LXR-beta (NR1H2)	TTXA6PH	NR1H2_HUMAN	Inhibitor	[1]
Pregnane X receptor (NR1I2)	TT7LCTF	NR1I2_HUMAN	Inhibitor	[1]

References

• [1] 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.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [4] Sterol intermediates from cholesterol biosynthetic pathway as liver X receptor ligands. J Biol Chem. 2006 Sep 22;281(38):27816-26.
• [5] A novel liver X receptor agonist establishes species differences in the regulation of cholesterol 7alpha-hydroxylase (CYP7a). Endocrinology. 2002 Jul;143(7):2548-58.
• [6] 27-hydroxycholesterol is an endogenous ligand for liver X receptor in cholesterol-loaded cells. J Biol Chem. 2001 Oct 19;276(42):38378-87.
• [7] An oxysterol signalling pathway mediated by the nuclear receptor LXR alpha. Nature. 1996 Oct 24;383(6602):728-31.
• [8] 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.
• [9] 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.
• [10] 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.
• [11] 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).
• [12] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [13] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [14] Clinical pipeline report, company report or official report of ISIS Pharmaceuticals (2011).
• [15] Synthesis and activity of novel bile-acid conjugated glucocorticoid receptor antagonists. Bioorg Med Chem Lett. 2006 Dec 1;16(23):6086-90.
• [16] Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 rec... J Med Chem. 2010 Sep 9;53(17):6386-97.
• [17] Functional probing of the human glucocorticoid receptor steroid-interacting surface by site-directed mutagenesis. Gln-642 plays an important role in steroid recognition and binding. J Biol Chem. 2000Jun 23;275(25):19041-9.
• [18] Antiinflammatory glucocorticoid receptor ligand with reduced side effects exhibits an altered protein-protein interaction profile. Proc Natl Acad Sci U S A. 2007 Dec 4;104(49):19244-9.
• [19] Liver X receptor modulators. US9073931.
• [20] Piperazine derivatives as liver X receptor modulators. US10144715.
• [21] Liver X receptor modulators. US9006244.
• [22] Pregnane X receptor (PXR) regulates P-glycoprotein at the blood-brain barrier: functional similarities between pig and human PXR. J Pharmacol Exp Ther. 2009 Apr;329(1):141-9.
• [23] The nuclear receptor PXR is a lithocholic acid sensor that protects against liver toxicity. Proc Natl Acad Sci U S A. 2001 Mar 13;98(6):3369-74.
• [24] An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway. Cell. 1998 Jan 9;92(1):73-82.
• [25] Identification of bile acid precursors as endogenous ligands for the nuclear xenobiotic pregnane X receptor. Proc Natl Acad Sci U S A. 2003 Jan 7;100(1):223-8.
• [26] Traditional Chinese medicines Wu Wei Zi (Schisandra chinensis Baill) and Gan Cao (Glycyrrhiza uralensis Fisch) activate pregnane X receptor and inc... J Pharmacol Exp Ther. 2006 Mar;316(3):1369-77.