Details of the Drug

General Information of Drug (ID: DMWI7XJ)

• Drug Name: 5-Phenethyl-quinazoline-2,4-diamine
• Synonyms: CHEMBL341703; 5-phenethylquinazoline-2,4-diamine; 5-Phenethyl-quinazoline-2,4-diamine; AC1LALFL; CTK7E0789; BDBM50036483; ZINC13740535; 5-(2-phenylethyl)quinazoline-2,4-diamine; 5-(2-phenylethyl)-2,4-quinazolinediamine; 2,4-Diamino-5-(2-phenylethyl)-quinazoline; (2-amino-5-phenethyl-quinazolin-4-yl)-amine; 2,4-Quinazolinediamine, 5-(2-phenylethyl)-

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); 264.32
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H16N4
  IUPAC Name: 5-(2-phenylethyl)quinazoline-2,4-diamine
  Canonical SMILES: C1=CC=C(C=C1)CCC2=C3C(=CC=C2)N=C(N=C3N)N
  InChI: InChI=1S/C16H16N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-8H,9-10H2,(H4,17,18,19,20)
  InChIKey: UIHMRPRVKDDARV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 490662
  TTD ID: D08GPU

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] 2,4-Diamino-5-substituted-quinazolines as inhibitors of a human dihydrofolate reductase with a site-directed mutation at position 22 and of the dih... J Med Chem. 1995 Mar 3;38(5):745-52.