Details of the Drug

General Information of Drug (ID: DM29I0Y)

Drug Name

ANTHRAQUINONE

Synonyms

84-65-1; 9,10-Anthraquinone; anthracene-9,10-dione; 9,10-Anthracenedione; Anthradione; Hoelite; 9,10-Dioxoanthracene; Corbit; Morkit; 9,10-Anthrachinon; Anthra-9,10-quinone; Anthrapel; 9,10-quinone; Anthrachinon; Caswell No. 052A; Anthraquinone [BSI:ISO]; UNII-030MS0JBDO; NSC 7957; Bis-alkylamino anthraquinone; 9,10-Anthrachinon [Czech]; CCRIS 649; 9,10-Anthracendion; Anthracene, 9,10-dihydro-9,10-dioxo-; CHEBI:40448; HSDB 2074; EINECS 201-549-0; Anthracene-9,10-quinone; EPA Pesticide Chemical Code 122701

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)

208.21

Topological Polar Surface Area (xlogp)

3.4

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H8O2
IUPAC Name: anthracene-9,10-dione
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6780
ChEBI ID: CHEBI:40448
CAS Number: 84-65-1
TTD ID: D0L5LN

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)

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	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.