Details of the Drug

General Information of Drug (ID: DMJXE6K)

• Drug Name: GNF-PF-607
• Synonyms: GNF-PF-607; CHEMBL113999; 13794-67-7; N6-[(3,4,5-trimethoxyphenyl)methyl]quinazoline-2,4,6-triamine; NSC156246; AC1L6FHM; AC1Q4YN2; n6-(3,4,5-trimethoxybenzyl)quinazoline-2,4,6-triamine; CTK0I1910; DTXSID70303050; BDBM50066492; NSC-156246; 6-[(3,4,5-Trimethoxybenzyl)amino]quinazoline-2,4-diamine; N*6*-(3,4,5-Trimethoxy-benzyl)-quinazoline-2,4,6-triamine; 6-N-[(3,4,5-trimethoxyphenyl)methyl]quinazoline-2,4,6-triamine

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); 355.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C18H21N5O3
  IUPAC Name: 6-N-[(3,4,5-trimethoxyphenyl)methyl]quinazoline-2,4,6-triamine
  Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CNC2=CC3=C(C=C2)N=C(N=C3N)N
  InChI: InChI=1S/C18H21N5O3/c1-24-14-6-10(7-15(25-2)16(14)26-3)9-21-11-4-5-13-12(8-11)17(19)23-18(20)22-13/h4-8,21H,9H2,1-3H3,(H4,19,20,22,23)
  InChIKey: YYJWQABXDCUJEF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 291270
  CAS Number: 13794-67-7
  TTD ID: D0H8AW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polypeptide deformylase (PDF)	TT9SL3Q	DEFM_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Polypeptide deformylase (PDF)	DTT	PDF	8.87E-16	-0.54	-0.86

References

• [1] CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate r... J Med Chem. 2005 Mar 10;48(5):1448-69.