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

General Information of Drug (ID: DMU2ZVY)

• Drug Name: SR12813 Drug Info
• Synonyms: SR 12813; 126411-39-0; SR-12813; SR12813; CHEBI:77317; GW 485801; CHEMBL458767; [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER; 4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol; Tetraethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethenyl-1,1-bisphosphonate; tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate); [[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethenylidene]bis-phosphonic acid tetraethyl ester; SRL; 1ilh; AC1L9JHO

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Terminated	[1]

• Cross-matching ID:
  PubChem CID: 446313
  ChEBI ID: CHEMBL77317
  CAS Number: CAS 126411-39-0
  TTD Drug ID: DMU2ZVY

Molecule-Related Drug Atlas

Drug(s) Targeting HMG-CoA reductase (HMGCR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Pravastatin	DM6A0X7	Adult acute monocytic leukemia		Approved	[5]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[6]
Cerivastatin	DMXCM7H	Hyperlipidaemia	5C80	Approved	[7]
PITAVASTATIN CALCIUM	DM1UJO0	Dyslipidemia	5C80-5C81	Approved	[8]
Rosuvastatin	DMMIQ7G	Arteriosclerosis	BD40	Approved	[9]
Fluvastatin	DM4MDJY	Arteriosclerosis	BD40	Approved	[6]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[10]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[6]
Lovastatin	DM9OZWQ	Arteriosclerosis	BD40	Approved	[11]
Teriflunomide	DMQ2FKJ	Hyperlipidaemia	5C80	Approved	[10]

Drug(s) Affected By ATP-dependent translocase ABCB1 (ABCB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flupentixol	DM0DJ9O	Schizophrenia	6A20	Approved	[12]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[13]
Crizotinib	DM4F29C	Non-small-cell lung cancer	2C25.Y	Approved	[14]
Lamotrigine	DM8SXYG	Bipolar disorder	6A60	Approved	[15]
Cepharanthine	DM9Y5JB	N. A.	N. A.	Approved	[16]
Itraconazole	DMCR1MV	Aspergillosis	1F20	Approved	[17]
Clozapine	DMFC71L	Schizophrenia	6A20	Approved	[18]
Midostaurin	DMI6E0R	Acute myeloid leukaemia	2A60	Approved	[19]
Trifluoperazine	DMKBYWI	Anxiety		Approved	[20]
Olanzapine	DMPFN6Y	Bipolar depression		Approved	[18]

Drug(s) Affected By Nuclear receptor subfamily 1 group I member 2 (NR1I2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[21]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[21]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[22]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[23]
Secobarbital	DM14RF5	Epilepsy	8A60-8A68	Approved	[24]
Etidronic acid	DM1XHYJ	Bone Paget disease		Approved	[21]
Tiaprofenic acid	DM23D7J	Osteoarthritis	FA00-FA05	Approved	[21]
Bromperidol	DM24XYQ	Schizophrenia	6A20	Approved	[21]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[25]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HMG-CoA reductase (HMGCR)	TTPADOQ	HMDH_HUMAN	Modulator	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
ATP-dependent translocase ABCB1 (ABCB1)	OTEJROBO	MDR1_HUMAN	Gene/Protein Processing	[3]
Nuclear receptor subfamily 1 group I member 2 (NR1I2)	OTC5U0N5	NR1I2_HUMAN	Gene/Protein Processing	[4]

References

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• [17] Clinical pharmacokinetic monitoring of itraconazole is warranted in only a subset of patients. Ther Drug Monit. 2005 Jun;27(3):322-33. doi: 10.1097/01.ftd.0000150135.22645.ea.
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• [19] Actions of the selective protein kinase C inhibitor PKC412 on B-chronic lymphocytic leukemia cells in vitro. Haematologica. 2002 Feb;87(2):167-76.
• [20] Characterization of the ATPase activity of the Mr 170,000 to 180,000 membrane glycoprotein (P-glycoprotein) associated with multidrug resistance in K562/ADM cells. Cancer Res. 1988 Sep 1;48(17):4926-32.
• [21] Screening of a chemical library reveals novel PXR-activating pharmacologic compounds. Toxicol Lett. 2015 Jan 5;232(1):193-202. doi: 10.1016/j.toxlet.2014.10.009. Epub 2014 Oct 16.
• [22] Induction of PXR-mediated metabolism by beta-carotene. Biochim Biophys Acta. 2005 May 30;1740(2):162-9. doi: 10.1016/j.bbadis.2004.11.013. Epub 2004 Dec 8.
• [23] Lignans, bacteriocides and organochlorine compounds activate the human pregnane X receptor (PXR). Toxicol Appl Pharmacol. 2005 Dec 1;209(2):123-33. doi: 10.1016/j.taap.2005.03.015.
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