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

General Information of Drug (ID: DM1XHYJ)

• Drug Name: Etidronic acid Drug Info
• Synonyms: EHDP; Etidronate; Etidronsaeure; HEDP; Osteoscan; Acetodiphosphonic acid; Acide etidronique; Acido etidronico; Acidumetidronicum; Didronel IV; Etidronic acid monohydrate; Hydroxyethanediphosphonic acid; Oxyethylidenediphosphonic acid; Turpinal SL; Dequest2010; Dequest 2015; Dequest Z 010; Ferrofos 510; RP 61; Acide etidronique [INN-French]; Acido etidronico [INN-Spanish]; Acidum etidronicum [INN-Latin]; Diphosphonate (base); Etidronic acid (USAN/INN); Etidronic acid [USAN:INN:BAN]; Hydroxyethane-1,1-diphosphonic acid; Ethane-1-hydroxy-1,1-bisphosphonate; Ethane-1-hydroxy-1,1-bisphosphonic acid; Ethane-1-hydroxy-1,1-diphosphonate; Ethane-1-hydroxy-1,1-diphosphonic acid; Phosphonic acid, 1-hydroxy-1,1-ethanediyl ester; (1-Hydroxyethylene)diphosphonic acid; (1-Hydroxyethylidene)bis(phosphonic acid); (1-Hydroxyethylidene)bisphosphonic acid; (1-Hydroxyethylidene)diphoshonic acid; (1-Hydroxyethylidene)diphosphonic acid; (1-hydroxy-1-phosphonoethyl)phosphonic acid; (1-hydroxyethane-1,1-diyl)bis(phosphonic acid); (Hydroxyethylidene)diphosphonic acid; 1,1,1-Ethanetriol diphosphonate; 1-HYDROXY-1,1-DIPHOSPHONOETHANE; 1-Hydroxyethane-1,1,-diphosphonic acid; 1-Hydroxyethane-1,1-bisphosphonic acid; 1-Hydroxyethane-1,1-diphosphonate; 1-Hydroxyethane-1,1-diphosphonic acid; 1-Hydroxyethanediphosphonic acid; 1-Hydroxyethylidene 1,1-diphosphonic acid; 1-Hydroxyethylidene-1,1-biphosphonate; 1-Hydroxyethylidene-1,1-bisphosphonate; 1-Hydroxyethylidene-1,1-diphosphonic acid; 1-Hydroxyethylidenediphosphonic acid; 1000SL

Indication

Disease Entry	ICD 11	Status	REF
Bone Paget disease		Approved	[1]
Paget's disease	FB85	Approved	[2]

• Therapeutic Class: Bone Density Conservation Agents
• Cross-matching ID:
  PubChem CID: 3305
  ChEBI ID: CHEBI:4907
  CAS Number: CAS 2809-21-4
  TTD Drug ID: DM1XHYJ
  ACDINA Drug ID: D00256

Molecule-Related Drug Atlas

Drug(s) Targeting Protein-tyrosine phosphatase sigma (R-PTP-sigma)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Orthovanadate	DMGRXD4	Discovery agent	N.A.	Investigative	[3]

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	[4]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[4]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[5]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[6]
Secobarbital	DM14RF5	Epilepsy	8A60-8A68	Approved	[7]
Tiaprofenic acid	DM23D7J	Osteoarthritis	FA00-FA05	Approved	[4]
Bromperidol	DM24XYQ	Schizophrenia	6A20	Approved	[4]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[8]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[9]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[10]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein-tyrosine phosphatase sigma (R-PTP-sigma)	TTCWXFA	PTPRS_HUMAN	Inhibitor	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Nuclear receptor subfamily 1 group I member 2 (NR1I2)	OTC5U0N5	NR1I2_HUMAN	Gene/Protein Processing	[4]

References

• [1] Etidronic acid. A review of its pharmacological properties and therapeutic efficacy in resorptive bone disease. Drugs Aging. 1994 Dec;5(6):446-74. doi: 10.2165/00002512-199405060-00006.
• [2] 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: 7184).
• [3] Human protein tyrosine phosphatase-sigma: alternative splicing and inhibition by bisphosphonates. J Bone Miner Res. 1996 Apr;11(4):535-43.
• [4] 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.
• [5] 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.
• [6] 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.
• [7] Identification and validation of novel human pregnane X receptor activators among prescribed drugs via ligand-based virtual screening. Drug Metab Dispos. 2011 Feb;39(2):337-44. doi: 10.1124/dmd.110.035808. Epub 2010 Nov 10.
• [8] Identification of HMG-CoA reductase inhibitors as activators for human, mouse and rat constitutive androstane receptor. Drug Metab Dispos. 2005 Jul;33(7):924-9.
• [9] Acetylated deoxycholic (DCA) and cholic (CA) acids are potent ligands of pregnane X (PXR) receptor. Toxicol Lett. 2017 Jan 4;265:86-96.
• [10] Stable cellular models of nuclear receptor PXR for high-throughput evaluation of small molecules. Toxicol In Vitro. 2018 Oct;52:222-234.