Details of the Drug

General Information of Drug (ID: DMO5MUY)

• Drug Name: NSC-207895
• Synonyms: 58131-57-0; NSC 207895; NSC207895; NSC 179940; MLS000756495; Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide; 4-(4-Methyl-1-piperazinyl)-7-nitro-benzofurazan 3-oxide; BENZOFURAZAN, 7-(4-METHYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE; 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; SMR000528763; NSC 207895 (XI-006); NSC-207895 (XI-006); 4-(4-methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole, 3-oxide; XI-006; WLN: T56 BNONJ BO FNW I- AT6N DNTJ D1; 7-(4-Methyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide; B2368; NCIStruc1_000831; NCIStruc2_001869; cc-262; cid_42640; MLS006011023; SCHEMBL8738959; CHEMBL1608727; BDBM51256; DTXSID50206858; HMS2861M23; XI006; ZINC5180959; NSC179940; s2678; BCP9000997; NCGC00246958-01; NCGC00246958-02; NCGC00246958-03; HY-14714; NCI60_001741; BCP0726000315; NSC-207895?XI-006?; A4209; CS-0003525; NSC-207895 - XI-006; NSC?207895?(XI-006); X7598; Z-3234; 7-(4-methylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium; 2,1,3-Benzoxadiazole, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide; 2,1,3-benzoxadiazole, 7-(4-methyl-1-piperazinyl)-4-nitro-, 1-oxide; 4-(4-methyl-1-piperazinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; 7-(4-methylpiperazin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazole 1-oxide; 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium; 4-(hydroxy(oxido)amino)-7-(4-methyl-1-piperazinyl)-2,15,3-benzoxadiazol-1-ol

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 279.25
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C11H13N5O4
  IUPAC Name: 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
  Canonical SMILES: CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]
  InChI: InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3
  InChIKey: MWFZDJLPWDCQIL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 42640
  CAS Number: 58131-57-0
  TTD ID: DPBE75

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
p53-binding protein Mdm4 (MDM4)	TT9OUDQ	MDM4_HUMAN	Inhibitor	[1]

References

• [1] Emerging therapies targeting the ubiquitin proteasome system in cancer. J Clin Invest. 2014 Jan;124(1):6-12.