Details of the Drug

General Information of Drug (ID: DMUN7KC)

Drug Name

4-ethoxynaphthalene-1,2-dione

Synonyms

4-ethoxynaphthalene-1,2-dione; 4-ethoxy-1,2-naphthoquinone; CHEMBL50620; 4-Ethoxy-[1,2]naphthoquinone; 7473-19-0; NSC400247; AC1L7Z1H; 4-Ethoxy-1,2-naphthalenedione; SCHEMBL5595641; DTXSID70322029; XPXODXIULRDWNT-UHFFFAOYSA-N; 1,2-Naphthalenedione, 4-ethoxy-; ZINC1593117; BDBM50099736

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

202.21

Topological Polar Surface Area (xlogp)

1.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H10O3
IUPAC Name: 4-ethoxynaphthalene-1,2-dione
Canonical SMILES: CCOC1=CC(=O)C(=O)C2=CC=CC=C21
InChI: InChI=1S/C12H10O3/c1-2-15-11-7-10(13)12(14)9-6-4-3-5-8(9)11/h3-7H,2H2,1H3
InChIKey: XPXODXIULRDWNT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 343759
CAS Number: 7473-19-0
TTD ID: D07REK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dual specificity protein phosphatase 1 (DUSP1)	TTG8HIM	DUS1_HUMAN	Inhibitor	[1]
M-phase inducer phosphatase 2 (MPIP2)	TTR0SWN	MPIP2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Bioactivities of simplified adociaquinone B and naphthoquinone derivatives against Cdc25B, MKP-1, and MKP-3 phosphatases. Bioorg Med Chem. 2009 Mar 15;17(6):2276-81.
2	Inhibition of protein phosphatase 1 stimulates secretion of Alzheimer amyloid precursor protein. Mol Med. 1995 Jul;1(5):535-41.
3	Handbook of Assay Development in Drug Discovery, Lisa K. Minor, 2013. Page(11).
4	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
5	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
6	Synthesis of miltirone analogues as inhibitors of Cdc25 phosphatases. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1905-8.
7	Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties. Bioorg Med Chem. 2008 Oct 1;16(19):9040-9.