Details of the Drug

General Information of Drug (ID: DMNHEUT)

• Drug Name: BPIQ-I
• Synonyms: bpiq-i; 174709-30-9; N-(3-bromophenyl)-3-methyl-3H-imidazo[4,5-g]quinazolin-8-amine; 8-[(3-Bromophenyl)amino]-3-methyl-3H-imidazo[4,5-g]-quinazoline; Imidazoquinazoline deriv. 12; AC1L1DNH; GTPL5939; CHEMBL174426; BDBM3574; SCHEMBL17931472; CTK8E6742; DTXSID60274366; MolPort-044-561-412; HMS3229C05; ZINC2391775; IN1402; HSCI1_000090; AKOS025394452; CCG-206740; ACM174709309; RT-011807; J-011030; BRD-K72211743-001-01-1

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); 354.2
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H12BrN5
  IUPAC Name: N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine
  Canonical SMILES: CN1C=NC2=C1C=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br
  InChI: InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)
  InChIKey: YAMAGACQNDAKFB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2427
  ChEBI ID: CHEMBL174426
  CAS Number: 174709-30-9
  TTD ID: D0U6WB

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.