Details of the Drug

General Information of Drug (ID: DMVA6R0)

Drug Name

NSC-745883

Synonyms

2-(4-Cyanophenyl)-1H-anthra[1,2-d]imidazole-6,11-dione; 1190059-23-4; NSC-745883; SCHEMBL2399352; CHEMBL603647; ZINC45390864; 2-(4-Cyanophenyl)-1H-anthra-[1,2-d]imidazole-6,11-dione, 97%, AldrichCPR

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)

349.3

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H11N3O2
IUPAC Name: 4-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)benzonitrile
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)C5=CC=C(C=C5)C#N
InChI: InChI=1S/C22H11N3O2/c23-11-12-5-7-13(8-6-12)22-24-17-10-9-16-18(19(17)25-22)21(27)15-4-2-1-3-14(15)20(16)26/h1-10H,(H,24,25)
InChIKey: KHYKISCIUUOMQS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44251286
TTD ID: D0T1ZM

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.