Details of the Drug

General Information of Drug (ID: DMIQAO9)

Drug Name

5,6,7,8-tetrahydroanthracene-1,4-dione

Synonyms

CHEMBL508233; 5,6,7,8-tetrahydroanthracene-1,4-dione; SCHEMBL11038167

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)

212.24

Topological Polar Surface Area (xlogp)

2.8

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H12O2
IUPAC Name: 5,6,7,8-tetrahydroanthracene-1,4-dione
Canonical SMILES: C1CCC2=CC3=C(C=C2C1)C(=O)C=CC3=O
InChI: InChI=1S/C14H12O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h5-8H,1-4H2
InChIKey: DWXLNXHEUIUNRF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
M-phase inducer phosphatase 2 (MPIP2)	TTR0SWN	MPIP2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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	Handbook of Assay Development in Drug Discovery, Lisa K. Minor, 2013. Page(11).
3	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
5	Synthesis of miltirone analogues as inhibitors of Cdc25 phosphatases. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1905-8.
6	Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties. Bioorg Med Chem. 2008 Oct 1;16(19):9040-9.