Details of the Drug

General Information of Drug (ID: DMFWN5U)

• Drug Name: N*4*-(3-Bromo-phenyl)-quinazoline-4,6,7-triamine
• Synonyms: bpdq; CHEMBL328216; 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine; 4-[(3-Bromophenyl)amino]-6,7-diaminoquinazoline; 169205-87-2; AC1L1DNE; N4-(3-bromophenyl)-4,6,7-Quinazolinetriamine; K00041; SCHEMBL7221302; BDBM3303; 4-Anilinoquinazoline deriv. 54; CTK8F8323; ADXSZLCTQCWMTE-UHFFFAOYSA-N; IN1401; HSCI1_000040; AKOS025149794; 4-(3-bromoanilino)-6,7-diaminoquinazoline; N-(3-Bromophenyl)quinazoline-4,6,7-triamine; 4[ (3-Bromophenyl)aminol-6,7-diaminoquinazoline; J-010514

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); 330.18
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H12BrN5
  IUPAC Name: 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine
  Canonical SMILES: C1=CC(=CC(=C1)Br)NC2=NC=NC3=CC(=C(C=C32)N)N
  InChI: InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
  InChIKey: ADXSZLCTQCWMTE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2426
  CAS Number: 169205-87-2
  TTD ID: D0B4PH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_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
Epidermal growth factor receptor (EGFR)	DTT	EGFR	5.84E-05	0.32	0.55

References

• [1] Tyrosine kinase inhibitors. 9. Synthesis and evaluation of fused tricyclic quinazoline analogues as ATP site inhibitors of the tyrosine kinase acti... J Med Chem. 1996 Feb 16;39(4):918-28.