Details of the Drug

General Information of Drug (ID: DMU4ORS)

• Drug Name: Magnesium
• Synonyms: Magnesio; Magnesio [Italian]; Magnesium Matrix Modifier; Magnesium modifier; Magnesium powdered; Magnesium preparation; Magnesium sheet; LTBB002624; Magnesium hydride [UN2010] [Dangerous when wet]; MAGNESIUM NITRATE, ACS; Magnesium nitrate-nitric acid solution; Rieke's active magnesium; MAGNESIUM, ATOMIZED POWDER,18MICRON; Magnesium granules, coated particle size not50% magnesium in pellets, turnings or ribbons [UN1869] [Flammable solid]; Magnesium, powder or magnesium alloys, powder [UN1418] [Dangerous when wet, Spontaneously combustible]; AQUANAL-plus magnesium (Mg) 100-1500 mg/L; AQUANAL(R)-plus magnesium (Mg) 100-1500 mg/L;12Mg

Indication

Disease Entry	ICD 11	Status	REF
Ischemic stroke	8B11.5Z	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 24.305
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 0
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 0
• ADMET Property:
  Half-life: The concentration or amount of drug in body reduced by one-half in 1000 hours [2]
  Metabolism: The drug is not metabolised [3]
  Vd: The volume of distribution (Vd) of drug is 13.65-49.00 L [4]
• Chemical Identifiers:
  Formula: Mg
  IUPAC Name: magnesium
  Canonical SMILES: [Mg]
  InChI: InChI=1S/Mg
  InChIKey: FYYHWMGAXLPEAU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5462224
  ChEBI ID: CHEMBL25107
  CAS Number: 7439-95-4
  UNII: I38ZP9992A
  DrugBank ID: DB14513
  TTD ID: D0B8QB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	NOUNIPROTAC	Antagonist	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
ADP-ribose pyrophosphatase, mitochondrial (NUDT9)	OTUYF0H3	NUDT9_HUMAN	Gene/Protein Processing	[5]
ATP-dependent translocase ABCB1 (ABCB1)	OTEJROBO	MDR1_HUMAN	Gene/Protein Processing	[6]
Collagen alpha-2(I) chain (COL1A2)	OTY7G382	CO1A2_HUMAN	Gene/Protein Processing	[7]
Integrin-binding sialoprotein (IBSP)	OT29944Y	SIAL_HUMAN	Gene/Protein Processing	[7]
Kallikrein-1 (KLK1)	OTFGP3UR	KLK1_HUMAN	Gene/Protein Processing	[8]
Kallikrein-8 (KLK8)	OTGVGHXY	KLK8_HUMAN	Gene/Protein Processing	[9]
Osteocalcin (BGLAP)	OTK1YLWQ	OSTCN_HUMAN	Gene/Protein Processing	[7]
Plasminogen activator inhibitor 1 (SERPINE1)	OTT0MPQ3	PAI1_HUMAN	Protein Interaction/Cellular Processes	[10]
SPARC (SPARC)	OTPN90H0	SPRC_HUMAN	Gene/Protein Processing	[7]
Transient receptor potential cation channel subfamily M member 7 (TRPM7)	OTHG1J2G	TRPM7_HUMAN	Regulation of Drug Effects	[11]

References

• [1] Emerging drugs for acute ischemic stroke. Expert Opin Emerg Drugs. 2009 Mar;14(1):33-42.
• [2] The Importance of Magnesium in Clinical Healthcare. Scientifica (Cairo). 2017;2017:4179326. doi: 10.1155/2017/4179326. Epub 2017 Sep 28.
• [3] Milosheska D, Lorber B, Vovk T, Kastelic M, Dolzan V, Grabnar I: Pharmacokinetics of lamotrigine and its metabolite N-2-glucuronide: Influence of polymorphism of UDP-glucuronosyltransferases and drug transporters. Br J Clin Pharmacol. 2016 Aug;82(2):399-411. doi: 10.1111/bcp.12984. Epub 2016 May 29.
• [4] Okusanya BO, Oladapo OT, Long Q, Lumbiganon P, Carroli G, Qureshi Z, Duley L, Souza JP, Gulmezoglu AM: Clinical pharmacokinetic properties of magnesium sulphate in women with pre-eclampsia and eclampsia. BJOG. 2016 Feb;123(3):356-66. doi: 10.1111/1471-0528.13753. Epub 2015 Nov 24.
• [5] The specific, submicromolar-Km ADP-ribose pyrophosphatase purified from human placenta is enzymically indistinguishable from recombinant NUDT9 protein, including a selectivity for Mn2+ as activating cation and increase in Km for ADP-ribose, both elicited by H2O2. Biochim Biophys Acta. 2006 Oct;1760(10):1545-51. doi: 10.1016/j.bbagen.2006.06.003. Epub 2006 Jun 9.
• [6] 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.
• [7] Effect of surface chemical modification of bioceramic on phenotype of human bone-derived cells. J Biomed Mater Res. 1999 Mar 15;44(4):389-96. doi: 10.1002/(sici)1097-4636(19990315)44:4<389::aid-jbm4>3.0.co;2-o.
• [8] The effect of cations on the amidase activity of human tissue kallikrein: 1-linear competitive inhibition by sodium, potassium, calcium and magnesium. 2-linear mixed inhibition by aluminium. J Enzyme Inhib Med Chem. 2004 Aug;19(4):317-25. doi: 10.1080/14756360409162444.
• [9] Activation and enzymatic characterization of recombinant human kallikrein 8. Biol Chem. 2006 Jun;387(6):723-31. doi: 10.1515/BC.2006.091.
• [10] Metals affect the structure and activity of human plasminogen activator inhibitor-1. I. Modulation of stability and protease inhibition. Protein Sci. 2011 Feb;20(2):353-65. doi: 10.1002/pro.568.
• [11] TRPM7 is the central gatekeeper of intestinal mineral absorption essential for postnatal survival. Proc Natl Acad Sci U S A. 2019 Mar 5;116(10):4706-4715. doi: 10.1073/pnas.1810633116. Epub 2019 Feb 15.