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], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 34.015
Topological Polar Surface Area (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 [3]
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
CHEBI:16240
CAS Number
7722-84-1
DrugBank ID
DB11091
TTD ID
D03IDU
INTEDE ID
DR0832

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 [4]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [5]
Cytochrome P450 1B1 (CYP1B1) DE9QHP6 CP1B1_HUMAN Substrate [6]
Cellular glutathione peroxidase (GPX1) DESZ5G9 GPX1_HUMAN Substrate [7]
Catalase (CAT) DE1XPGH CATA_HUMAN Substrate [7]
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

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2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3 Chemical Summary for Hydrogen Peroxide - SSWM
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6 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.
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