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: CHEMBL95315
  TTD ID: D0P0CM
• 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
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.