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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

24.305

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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: CHEBI:25107
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
Adenylate cyclase type 5 (ADCY5)	OTF2WIT0	ADCY5_HUMAN	Gene/Protein Processing	[5]
ADP-ribose pyrophosphatase, mitochondrial (NUDT9)	OTUYF0H3	NUDT9_HUMAN	Gene/Protein Processing	[6]
ATP-dependent translocase ABCB1 (ABCB1)	OTEJROBO	MDR1_HUMAN	Gene/Protein Processing	[7]
Collagen alpha-2(I) chain (COL1A2)	OTY7G382	CO1A2_HUMAN	Gene/Protein Processing	[8]
Copper-transporting ATPase 2 (ATP7B)	OTPWLNCO	ATP7B_HUMAN	Post-Translational Modifications	[9]
DNA cytosine-5)-methyltransferase 1 (DNMT1)	OTM2DGTK	DNMT1_HUMAN	Gene/Protein Processing	[10]
Integrin-binding sialoprotein (IBSP)	OT29944Y	SIAL_HUMAN	Gene/Protein Processing	[8]
Kallikrein-1 (KLK1)	OTFGP3UR	KLK1_HUMAN	Gene/Protein Processing	[11]
Kallikrein-8 (KLK8)	OTGVGHXY	KLK8_HUMAN	Gene/Protein Processing	[12]
Osteocalcin (BGLAP)	OTK1YLWQ	OSTCN_HUMAN	Gene/Protein Processing	[8]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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	A critical interplay between Ca2+ inhibition and activation by Mg2+ of AC5 revealed by mutants and chimeric constructs. J Biol Chem. 2002 Sep 6;277(36):33139-47. doi: 10.1074/jbc.M112373200. Epub 2002 Jun 13.
6	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.
7	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.
8	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.
9	The loop connecting metal-binding domains 3 and 4 of ATP7B is a target of a kinase-mediated phosphorylation. Biochemistry. 2009 Jun 23;48(24):5573-81. doi: 10.1021/bi900325k.
10	Mechanisms for the inhibition of DNA methyltransferases by tea catechins and bioflavonoids. Mol Pharmacol. 2005 Oct;68(4):1018-30. doi: 10.1124/mol.104.008367. Epub 2005 Jul 21.
11	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.
12	Activation and enzymatic characterization of recombinant human kallikrein 8. Biol Chem. 2006 Jun;387(6):723-31. doi: 10.1515/BC.2006.091.