Details of the Drug

General Information of Drug (ID: DM1NG5W)

Drug Name
Hydrogen peroxide
Synonyms
perhydrol; oxydol; 7722-84-1; Superoxol; Interox; Hydrogen dioxide; hydroperoxide; Peroxaan; Inhibine; Kastone; Hioxyl; Albone; Albone 35; Dihydrogen dioxide; Albone DS; T-Stuff; Lensept; Perone; Elawox; Albone 70; Perone 50; Albone 50; Albone 35CG; Albone 70CG; Albone 50CG; H2O2; Hydrogen peroxide (H2O2); Peroxide; Peroxan; Hydrogen peroxide, 30%; Hydrogen dioxide solution; Hydrogen peroxide, 90%; Perone 35; Perone 30; Hydrogen peroxide, solution; Waterstofperoxyde; Wasserstoffperoxid; Hydrogen peroxide, 3%; Caswell No. 486AA
Indication
Disease Entry ICD 11 Status REF
Infectious disease 1A00-CA43.1 Approved [1]
ATC Code
A01AB02: Hydrogen peroxide
A01AB: Antiinfectives and antiseptics for local oral treatment
A01A: STOMATOLOGICAL PREPARATIONS
A01: STOMATOLOGICAL PREPARATIONS
A: ALIMENTARY TRACT AND METABOLISM
D08AX01: Hydrogen peroxide
D08AX: Other antiseptics and disinfectants
D08A: ANTISEPTICS AND DISINFECTANTS
D08: ANTISEPTICS AND DISINFECTANTS
D: DERMATOLOGICALS
D11AX25: Hydrogen peroxide
D11AX: Other dermatologicals
D11A: OTHER DERMATOLOGICAL PREPARATIONS
D11: OTHER DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
S02AA06: Hydrogen peroxide
S02AA: Antiinfectives
S02A: ANTIINFECTIVES
S02: OTOLOGICALS
S: SENSORY ORGANS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 34.015
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Metabolism
The drug is metabolized via the glutathione peroxidase [2]
Chemical Identifiers
Formula
H2O2
IUPAC Name
hydrogen peroxide
Canonical SMILES
OO
InChI
InChI=1S/H2O2/c1-2/h1-2H
InChIKey
MHAJPDPJQMAIIY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
784
ChEBI ID
CHEMBL16240
CAS Number
7722-84-1
UNII
BBX060AN9V
DrugBank ID
DB11091
TTD ID
D03IDU
INTEDE ID
DR0832
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PTPN1 messenger RNA (PTPN1 mRNA) TTELIN2 PTN1_HUMAN Inhibitor [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [4]
Cytochrome P450 1B1 (CYP1B1) DE9QHP6 CP1B1_HUMAN Substrate [5]
Cellular glutathione peroxidase (GPX1) DESZ5G9 GPX1_HUMAN Substrate [6]
Catalase (CAT) DE1XPGH CATA_HUMAN Substrate [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (CYP24A1) OTG2T749 CP24A_HUMAN Gene/Protein Processing [7]
1-acylglycerol-3-phosphate O-acyltransferase PNPLA3 (PNPLA3) OTR4990X PLPL3_HUMAN Gene/Protein Processing [8]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (PLCG1) OTSBQR6D PLCG1_HUMAN Gene/Protein Processing [9]
10 kDa heat shock protein, mitochondrial (HSPE1) OT7JSZLB CH10_HUMAN Gene/Protein Processing [8]
14-3-3 protein beta/alpha OTGBS3RF 1433B_HUMAN Gene/Protein Processing [8]
14-3-3 protein theta OTWG7F3H 1433T_HUMAN Gene/Protein Processing [8]
17-beta-hydroxysteroid dehydrogenase type 2 (HSD17B2) OT3K7HY5 DHB2_HUMAN Gene/Protein Processing [8]
17S U2 SnRNP complex component HTATSF1 (HTATSF1) OTLQ1ZLS HTSF1_HUMAN Gene/Protein Processing [8]
2-(3-amino-3-carboxypropyl)histidine synthase subunit 2 (DPH2) OT9P91XR DPH2_HUMAN Gene/Protein Processing [8]
2-hydroxyacyl-CoA lyase 2 (ILVBL) OTNRRCGY HACL2_HUMAN Gene/Protein Processing [10]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Infectious disease
ICD Disease Classification 1A00-CA43.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
PTPN1 messenger RNA (PTPN1 mRNA) DTT PTPN1 9.44E-01 7.21E-03 0.08
Cellular glutathione peroxidase (GPX1) DME GPX1 6.69E-01 2.17E-01 9.80E-01
Cytochrome P450 2D6 (CYP2D6) DME CYP2D6 7.04E-01 -2.88E-01 -5.42E-01
Cytochrome P450 1B1 (CYP1B1) DME CYP1B1 1.55E-03 8.10E-01 2.53E+00
Catalase (CAT) DME CAT 1.65E-01 -1.38E-02 -3.03E-02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 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: 2448).
2 Chemical Summary for Hydrogen Peroxide - SSWM
3 Periodinates: a new class of protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett. 1999 Feb 8;9(3):353-6.
4 Engineering of cytochrome P450 3A4 for enhanced peroxide-mediated substrate oxidation using directed evolution and site-directed mutagenesis. Drug Metab Dispos. 2006 Dec;34(12):1958-65.
5 NADPH- and hydroperoxide-supported 17beta-estradiol hydroxylation catalyzed by a variant form (432L, 453S) of human cytochrome P450 1B1. J Steroid Biochem Mol Biol. 2000 Sep;74(1-2):11-8.
6 Catalase and glutathione peroxidase are equally active in detoxification of hydrogen peroxide in human erythrocytes. Blood. 1989 Jan;73(1):334-9.
7 Time series analysis of oxidative stress response patterns in HepG2: a toxicogenomics approach. Toxicology. 2013 Apr 5;306:24-34.
8 Global gene expression analysis reveals differences in cellular responses to hydroxyl- and superoxide anion radical-induced oxidative stress in caco-2 cells. Toxicol Sci. 2010 Apr;114(2):193-203. doi: 10.1093/toxsci/kfp309. Epub 2009 Dec 31.
9 Minimal peroxide exposure of neuronal cells induces multifaceted adaptive responses. PLoS One. 2010 Dec 17;5(12):e14352. doi: 10.1371/journal.pone.0014352.
10 Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802.