Details of the Drug

General Information of Drug (ID: DMONK0F)

• Drug Name: GNF-PF-2272
• Synonyms: 3-Methyltoxoflavin; GNF-Pf-2272; MLS000528498; SMR000121073; 1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione; BAS 00444306; 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione; 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione; SR-01000322764; methyltoxoflavin; CPXHNWKHOFNPDO-UHFFFAOYSA-N; 3-methyl toxoflavin; AC1LA2XZ; 32502-62-8; cid_460747; SCHEMBL2180986; CHEMBL601757; BDBM34671; CHEBI:95315; KUC104460N; HMS2304H14; STK397047; KSC-1-228; MCULE-2510138695; NCGC00093522-02; NCGC00093522-01; HY-111117

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); 207.19
  Logarithm of the Partition Coefficient (xlogp); -0.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C8H9N5O2
  IUPAC Name: 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
  Canonical SMILES: CC1=NN(C2=NC(=O)N(C(=O)C2=N1)C)C
  InChI: InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
  InChIKey: CPXHNWKHOFNPDO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 460747
  ChEBI ID: CHEBI:95315
  TTD ID: D0P0CM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Mannose-6-phosphate isomerase (Candi PMI1)	TT915ZD	MPI_CANAL	Inhibitor	[1]
Mothers against decapentaplegic homolog 3 (SMAD3)	TTHQZV7	SMAD3_HUMAN	Inhibitor	[1]

References

• [1] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.