Details of the Drug

General Information of Drug (ID: DM1SON5)

• Drug Name: 5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
• Synonyms: MLS000038106; SMR000040050; 5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide; 5H-6-thia-4,5-diaza-chrysene 6,6-dioxide; Oprea1_666568; CBDivE_011354; CHEMBL428064; cid_659101; AC1LD057; CHEMBL1589921; SCHEMBL11973195; BDBM36894; CHEBI:93609; MolPort-002-134-452; CYSOFAOLQAYKGU-UHFFFAOYSA-N; HMS2479M21; ZINC230033; DNDI1318477; STL328289; AKOS022139691; MCULE-7323909600; NCGC00070544-03; EU-0033328; SR-01000388300; 5H-quino[8,7-c][1,2]benzothiazine 6,6-dioxide; SR-01000388300-1

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); 282.3
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H10N2O2S
  IUPAC Name: 5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
  Canonical SMILES: C1=CC=C2C(=C1)C3=C(C4=C(C=CC=N4)C=C3)NS2(=O)=O
  InChI: InChI=1S/C15H10N2O2S/c18-20(19)13-6-2-1-5-11(13)12-8-7-10-4-3-9-16-14(10)15(12)17-20/h1-9,17H
  InChIKey: CYSOFAOLQAYKGU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 659101
  ChEBI ID: CHEMBL428064
  TTD ID: D0Q2KK
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nuclear factor NF-kappa-B (NFKB)	TTSXVID	NFKB1_HUMAN ; NFKB2_HUMAN ; TF65_HUMAN ; RELB_HUMAN ; REL_HUMAN	Inhibitor	[1]

References

• [1] Identification of N-(quinolin-8-yl)benzenesulfonamides as agents capable of down-regulating NFkappaB activity within two separate high-throughput s... Bioorg Med Chem Lett. 2008 Jan 1;18(1):329-35.