Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DMYXELH)

Drug Name
1,2-NAPHTHOQUINONE Drug Info
Synonyms
1,2-NAPHTHOQUINONE; 524-42-5; 1,2-Naphthalenedione; naphthalene-1,2-dione; o-Naphthoquinone; beta-Naphthoquinone; 1,2-Naphthaquinone; 1,2-Naftochinon; .beta.-Naphthoquinone; 1,2-Naftochinon [Czech]; CCRIS 1558; UNII-804K62F61Q; HSDB 2036; 1,2-dihydronaphthalene-1,2-dione; NSC 9831; EINECS 208-360-2; 1,2-Dihydro-1,2-diketo-naphthalene; BRN 0606546; CHEMBL52347; MLS000069467; AI3-14930; CHEBI:34055; C10H6O2; KETQAJRQOHHATG-UHFFFAOYSA-N; 804K62F61Q; SMR000059112; 1,2-Naphthoquinone, 95%, tech.; NAPHTHALENEDIONE; b-naphthoquinone
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Cross-matching ID
PubChem CID
10667
ChEBI ID
CHEBI:34055
CAS Number
CAS 524-42-5
TTD Drug ID
DMYXELH
INTEDE Drug ID
DR0006

Molecule(s) Related to This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [1]
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [1]
Indoleamine 2,3-dioxygenase 1 (IDO1) TTZJYKH I23O1_HUMAN Inhibitor [2]
Liver carboxylesterase (CES1) TTMF541 EST1_HUMAN Inhibitor [1]
PTPN1 messenger RNA (PTPN1 mRNA) TTELIN2 PTN1_HUMAN Inhibitor [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID Highest Status REF
NADPH:quinone reductase (CRYZ) DE8RYV5 QOR_HUMAN Investigative [4]
Dicarbonyl/L-xylulose reductase (DCXR) DE3FEV8 DCXR_HUMAN Investigative [5]
Sepiapterin reductase (SPR) DEJVDAT SPRE_HUMAN Investigative [6]

The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule Molecule Type Gene Name Liver Colon Kidney Small Intestine
Liver carboxylesterase (CES1) DTT CES1 12.04 6.525 5.311 5.909
PTPN1 messenger RNA (PTPN1 mRNA) DTT PTPN1 3.667 2.293 2.609 4.573
Acetylcholinesterase (AChE) DTT ACHE 1.678 1.926 1.766 5.252
Sepiapterin reductase (SPR) DME SPR 8.578 7.9 8.197 7.312
NADPH:quinone reductase (CRYZ) DME CRYZ 9.579 6.329 9.469 8.189
Dicarbonyl/L-xylulose reductase (DCXR) DME DCXR 11.36 7.383 8.231 7.258
Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Sepiapterin reductase (SPR) DME SPR 2.59E-02 3.51E-01 9.51E-01
NADPH:quinone reductase (CRYZ) DME CRYZ 4.18E-01 2.63E-02 4.31E-02
Dicarbonyl/L-xylulose reductase (DCXR) DME DCXR 1.58E-01 7.19E-02 2.50E-01
Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1 Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem. 2007 Nov 15;50(23):5727-34.
2 Indoleamine 2,3-dioxygenase is the anticancer target for a novel series of potent naphthoquinone-based inhibitors. J Med Chem. 2008 Mar 27;51(6):1706-18.
3 Synthesis and PTP1B inhibition of 1,2-naphthoquinone derivatives as potent anti-diabetic agents. Bioorg Med Chem Lett. 2002 Aug 5;12(15):1941-6.
4 Effect of superoxide dismutase on the autoxidation of various hydroquinones--a possible role of superoxide dismutase as a superoxide:semiquinone oxidoreductase. Free Radic Biol Med. 1988;5(2):71-9.
5 Diacetyl/l-xylulose reductase mediates chemical redox cycling in lung epithelial cells. Chem Res Toxicol. 2017 Jul 17;30(7):1406-1418.
6 Sepiapterin reductase mediates chemical redox cycling in lung epithelial cells. J Biol Chem. 2013 Jun 28;288(26):19221-37.