Details of the Drug

General Information of Drug (ID: DMN56VM)

Drug Name

2,7-Dinitroantraquinone

Synonyms

2,7-Dinitroanthraquinone; 605-28-7; 2,7-Dinitroantraquinone; EINECS 210-084-2; 2,7-dinitro-9,10-anthraquinone; 2,7- Dinitroanthrachinon; AC1L2B0Y; SCHEMBL2772220; CHEMBL493255; AC1Q21I1; CTK5B1648; DTXSID00209233; XFLONXIGNOXKCG-UHFFFAOYSA-N; ZINC5845160; 2,7-dinitroanthracene-9,10-dione

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

298.21

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C14H6N2O6
IUPAC Name: 2,7-dinitroanthracene-9,10-dione
Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC(=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H6N2O6/c17-13-9-3-1-7(15(19)20)5-11(9)14(18)12-6-8(16(21)22)2-4-10(12)13/h1-6H
InChIKey: XFLONXIGNOXKCG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 69057
CAS Number: 605-28-7
TTD ID: D07DAX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TERT messenger RNA (TERT mRNA)	TTQY2EJ	TERT_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis, human telomerase inhibition and anti-proliferative studies of a series of 2,7-bis-substituted amido-anthraquinone derivatives. Bioorg Med Chem. 2008 Jul 15;16(14):6976-86.