Details of the Drug

General Information of Drug (ID: DMO56XY)

• Drug Name: N*4*-(3-Bromo-phenyl)-quinazoline-4,7-diamine
• Synonyms: CHEMBL420624; 7-amino-4-[(3-bromophenyl)amino]quinazoline; 4-N-(3-bromophenyl)quinazoline-4,7-diamine; 4-Anilinoquinazoline deriv. 48; AC1NS3NB; BDBM3297; SCHEMBL2986298; GHVBIROTJQDRQB-UHFFFAOYSA-N; ZINC3815072; AKOS014671983; 7-Amino-4-(3-bromoanilino)quinazoline; 7-amino-4(3-bromoanilino)-quinazoline; 7-amino-4-(3-bromoanilino)-quinazoline; 169205-81-6; N-(3-Bromophenyl)quinazoline-4,7-diamine; 7-Amino-4-[(3-bromophenyl)aminolquinazoline; FT-0768311; 7-amino-4-[(3-bromophenyl)-amino]quinazoline

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); 315.17
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H11BrN4
  IUPAC Name: 4-N-(3-bromophenyl)quinazoline-4,7-diamine
  Canonical SMILES: C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=CC(=C3)N
  InChI: InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-5-4-10(16)7-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
  InChIKey: GHVBIROTJQDRQB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5328045
  TTD ID: D0K7GD

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. 5. Synthesis and structure-activity relationships for 4-[(phenylmethyl)amino]- and 4-(phenylamino)quinazolines as poten... J Med Chem. 1995 Sep 1;38(18):3482-7.