Details of the Drug

General Information of Drug (ID: DMKTQB2)

Drug Name

2-Methyl-1(3)H-anthrasimidazole-6,11-dione

Synonyms

AC1MZY8L; CHEMBL594892; SCHEMBL17702673; MolPort-002-517-242; MolPort-000-752-121; ZINC9353066; AKOS030496241; MCULE-7367469235; 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-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)

262.26

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H10N2O2
IUPAC Name: 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione
Canonical SMILES: CC1=NC2=C(N1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C16H10N2O2/c1-8-17-12-7-6-11-13(14(12)18-8)16(20)10-5-3-2-4-9(10)15(11)19/h2-7H,1H3,(H,17,18)
InChIKey: IXPPRTBZHPTQCM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3908369
TTD ID: D03SFB

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, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,1... Bioorg Med Chem. 2009 Nov 1;17(21):7418-28.