General Information of Drug (ID: DMHW93J)

Drug Name
Phenylglyoxal Drug Info
Synonyms
Benzeneacetaldehyde, .alpha.-oxo-; OJUGVDODNPJEEC-UHFFFAOYSA-N; Oxo(phenyl)acetaldehyde; Oxo-phenyl-acetaldehyde; Phenyl glyoxal; alpha-oxobenzeneacetaldehyde; benzoylcarboxaldehyde; benzoylformaldehyde; glyoxal, phenyl-; phenylethanedione; phenylglyoxal; 1074-12-0; 2-oxo-2-phenyl-acetaldehyde; 2-oxo-2-phenylacetaldehyde; AI3-22132; BRN 1854721; CCRIS 966; CHEBI:88868; EINECS 214-036-1; MFCD00006959; N45G3015PA; NSC 156299; NSC 26909; NSC627436; UNII-N45G3015PA; benzeneacetaldehyde, alpha-oxo-, monohydrate
Cross-matching ID
PubChem CID
14090
ChEBI ID
CHEBI:88868
CAS Number
CAS 1074-12-0
TTD Drug ID
DMHW93J
INTEDE Drug ID
DR2120

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DME
DOT
Drug Status:
Approved Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [5]
Quercetin DM3NC4M Obesity 5B81 Approved [6]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [7]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [8]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [9]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [10]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [11]
Zoledronate DMIXC7G Adenocarcinoma 2D40 Approved [12]
Pyridoxal Phosphate DMO2K0J Malnutrition 5B50-5B71 Approved [3]
Cupric Sulfate DMP0NFQ Fungal infection 1F29-1F2F Approved [13]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Quercetin DM3NC4M Obesity 5B81 Approved [6]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [14]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [15]
Glutathione DMAHMT9 Human immunodeficiency virus infection 1C62 Approved [16]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [10]
Disulfiram DMCL2OK Alcohol dependence 6C40.2 Approved [17]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [18]
Ivermectin DMDBX5F Intestinal strongyloidiasis due to nematode parasite 1F6B Approved [19]
Zoledronate DMIXC7G Adenocarcinoma 2D40 Approved [12]
Benzoic Acid DMKB9FI Alopecia areata ED70.2 Approved [17]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [4]
Quercetin DM3NC4M Obesity 5B81 Approved [4]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [14]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [8]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [20]
Flufenamic Acid DMC8VNH Dysmenorrhea GA34.3 Approved [4]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [18]
Demecolcine DMCZQGK Solid tumour/cancer 2A00-2F9Z Approved [21]
Zoledronate DMIXC7G Adenocarcinoma 2D40 Approved [12]
Temozolomide DMKECZD Adenocarcinoma 2D40 Approved [22]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [23]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [8]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [11]
Ivermectin DMDBX5F Intestinal strongyloidiasis due to nematode parasite 1F6B Approved [19]
Zoledronate DMIXC7G Adenocarcinoma 2D40 Approved [12]
Cupric Sulfate DMP0NFQ Fungal infection 1F29-1F2F Approved [13]
Phenobarbital DMXZOCG Cluster headache 8A81.0 Approved [24]
Carbamazepine DMZOLBI Epilepsy 8A60-8A68 Approved [11]
Daunorubicin DMQUSBT Acute monocytic leukemia Approved [23]
Urethane DM7NSI0 N. A. N. A. Phase 4 [25]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Maillard deglycase (PARK7) Main DME DEPOVCH PARK7_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Aldo-keto reductase family 1 member A1 (AKR1A1) OTZT9NOW AK1A1_HUMAN Biotransformations [2]
Aldo-keto reductase family 1 member B1 (AKR1B1) OTRX72TH ALDR_HUMAN Biotransformations [2]
Alpha-(1,6)-fucosyltransferase (FUT8) OTJJCVG1 FUT8_HUMAN Gene/Protein Processing [3]
Dehydrogenase/reductase SDR family member 11 (DHRS11) OTU3J0ZL DHR11_HUMAN Biotransformations [4]

References

1 Stereospecific mechanism of DJ-1 glyoxalases inferred from their hemithioacetal-containing crystal structures. FEBS J. 2014 Dec;281(24):5447-62.
2 Major differences exist in the function and tissue-specific expression of human aflatoxin B1 aldehyde reductase and the principal human aldo-keto reductase AKR1 family members. Biochem J. 1999 Oct 15;343 Pt 2(Pt 2):487-504.
3 Chemical modifications of alpha1,6-fucosyltransferase define amino acid residues of catalytic importance. Biochimie. 2003 Mar-Apr;85(3-4):303-10. doi: 10.1016/s0300-9084(03)00074-9.
4 Rabbit dehydrogenase/reductase SDR family member 11 (DHRS11): Its identity with acetohexamide reductase with broad substrate specificity and inhibitor sensitivity, different from human DHRS11. Chem Biol Interact. 2019 May 25;305:12-20. doi: 10.1016/j.cbi.2019.03.026. Epub 2019 Mar 26.
5 DNA methylome-wide alterations associated with estrogen receptor-dependent effects of bisphenols in breast cancer. Clin Epigenetics. 2019 Oct 10;11(1):138. doi: 10.1186/s13148-019-0725-y.
6 Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
7 Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
8 Temporal changes in gene expression in the skin of patients treated with isotretinoin provide insight into its mechanism of action. Dermatoendocrinol. 2009 May;1(3):177-87.
9 Identification of vitamin D3 target genes in human breast cancer tissue. J Steroid Biochem Mol Biol. 2016 Nov;164:90-97.
10 Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.
11 Gene Expression Regulation and Pathway Analysis After Valproic Acid and Carbamazepine Exposure in a Human Embryonic Stem Cell-Based Neurodevelopmental Toxicity Assay. Toxicol Sci. 2015 Aug;146(2):311-20. doi: 10.1093/toxsci/kfv094. Epub 2015 May 15.
12 Interleukin-19 as a translational indicator of renal injury. Arch Toxicol. 2015 Jan;89(1):101-6.
13 Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
14 Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
15 Classification of heavy-metal toxicity by human DNA microarray analysis. Environ Sci Technol. 2007 May 15;41(10):3769-74.
16 Posttranslational glutathiolation of aldose reductase (AKR1B1): a possible mechanism of protein recovery from S-nitrosylation. Chem Biol Interact. 2009 Mar 16;178(1-3):250-8. doi: 10.1016/j.cbi.2008.11.007. Epub 2008 Nov 18.
17 Keratinocyte gene expression profiles discriminate sensitizing and irritating compounds. Toxicol Sci. 2010 Sep;117(1):81-9.
18 Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
19 Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment. J Cell Physiol. 2021 Apr;236(4):2959-2975. doi: 10.1002/jcp.30055. Epub 2020 Sep 22.
20 Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
21 Characterization of formaldehyde's genotoxic mode of action by gene expression analysis in TK6 cells. Arch Toxicol. 2013 Nov;87(11):1999-2012.
22 Temozolomide induces activation of Wnt/-catenin signaling in glioma cells via PI3K/Akt pathway: implications in glioma therapy. Cell Biol Toxicol. 2020 Jun;36(3):273-278. doi: 10.1007/s10565-019-09502-7. Epub 2019 Nov 22.
23 Aldo-keto reductase 1C2 fails to metabolize doxorubicin and daunorubicin in vitro. Drug Metab Dispos. 2008 Jun;36(6):991-4. doi: 10.1124/dmd.108.020388. Epub 2008 Mar 5.
24 Reproducible chemical-induced changes in gene expression profiles in human hepatoma HepaRG cells under various experimental conditions. Toxicol In Vitro. 2009 Apr;23(3):466-75. doi: 10.1016/j.tiv.2008.12.018. Epub 2008 Dec 30.
25 Ethyl carbamate induces cell death through its effects on multiple metabolic pathways. Chem Biol Interact. 2017 Nov 1;277:21-32.