Details of the Drug

General Information of Drug (ID: DMKZJ1V)

Drug Name

4-nitrobenzo[c][1,2,5]thiadiazole

Synonyms

4-Nitro-2,1,3-benzothiadiazole; 6583-06-8; 4-nitrobenzo[c][1,2,5]thiadiazole; 4-Nitropiazthiole; 2,1,3-Benzothiadiazole, 4-nitro-; NSC404747; CHEMBL383084; 4-Nitro-1,2,3-benzothiadiazole; 4-Nitro-benzo[1,2,5]thiadiazole; 4-nitrobenzo[c]1,2,5-thiadiazole; ACMC-1B59L; Oprea1_370043; 4-Bromo-2,8-dimethylphenol; C6H3N3O2S; 4-Nitro-2,3-benzothiadiazole; SCHEMBL2213406; AC1Q202C; AC1L30J9; CTK5C3163; DTXSID10216019; 4-nitrobenzo-2,1,3-thiadiazole; MolPort-004-288-376; IWQKAMJGVIHECB-UHFFFAOYSA-N; MolPort-001-779-862

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)

181.17

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C6H3N3O2S
IUPAC Name: 4-nitro-2,1,3-benzothiadiazole
Canonical SMILES: C1=CC2=NSN=C2C(=C1)[N+](=O)[O-]
InChI: InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H
InChIKey: IWQKAMJGVIHECB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 81062
CAS Number: 6583-06-8
TTD ID: D0V8FG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutathione reductase (GR)	TTEP6RV	GSHR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Specific inhibitors of Plasmodium falciparum thioredoxin reductase as potential antimalarial agents. Bioorg Med Chem Lett. 2006 Apr 15;16(8):2283-92.