Details of the Drug

General Information of Drug (ID: DMZQ803)

Drug Name

NSC-745885

Synonyms

NSC-745885; AC1MYPDK; SCHEMBL1217478; CHEMBL594366; SJPXIVLTCBBWKT-UHFFFAOYSA-N; MolPort-002-321-063; ZINC4016501; STK368283; NSC745885; AKOS005445050; MCULE-4713643178; ST50889307; anthra[1,2-c]1,2,5-thiadiazole-6,11-dione; anthra[1,2-c][1,2,5]thiadiazole-6,11-dione; anthra [1,2-c]-1,2,5-thiadiazole-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)

266.28

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C14H6N2O2S
IUPAC Name: naphtho[2,3-g][2,1,3]benzothiadiazole-6,11-dione
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=NSN=C4C=C3
InChI: InChI=1S/C14H6N2O2S/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10-12(11)16-19-15-10/h1-6H
InChIKey: SJPXIVLTCBBWKT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3835463
TTD ID: D0I6UM

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.