Details of the Drug

General Information of Drug (ID: DMWDYLR)

• Drug Name: 4,6-dinitrobenzo[c][1,2,5]thiadiazole
• Synonyms: 4,6-Dinitro-2,1,3-benzothiadiazole; 4,6-dinitrobenzo[c][1,2,5]thiadiazole; CHEMBL206140; 16408-06-3; NSC202427; AC1L76UW; AC1Q1Y7D; C6H2N4O4S; DTXSID90308123; MolPort-000-820-133; BYLOIWCTRDPRTP-UHFFFAOYSA-N; ZINC1736331; STK744333; BDBM50182130; 5,7-dinitro-2,1,3-benzothiadiazole; AKOS000544790; NSC-202427; MCULE-2301273439; 4,6-dinitrobenzo[c]1,2,5-thiadiazole; 4,6-Dinitro-benzo[1,2,5]thiadiazole; 2,1,3-Benzothiadiazole, 4,6-dinitro-; 4,6-Dinitro-2,1,3-benzothiadiazole #; NCI60_001699; ST032375; BAS 00731156

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 226.17
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C6H2N4O4S
  IUPAC Name: 4,6-dinitro-2,1,3-benzothiadiazole
  Canonical SMILES: C1=C(C=C(C2=NSN=C21)[N+](=O)[O-])[N+](=O)[O-]
  InChI: InChI=1S/C6H2N4O4S/c11-9(12)3-1-4-6(8-15-7-4)5(2-3)10(13)14/h1-2H
  InChIKey: BYLOIWCTRDPRTP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 305451
  CAS Number: 16408-06-3
  TTD ID: D0AA8E

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytoplasmic thioredoxin reductase (TXNRD1)	TTR7UJ3	TRXR1_HUMAN	Inhibitor	[1]

References

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