Details of the Drug

General Information of Drug (ID: DMEFOV6)

• Drug Name: 2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
• Synonyms: CHEMBL564660; 2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine; AC1O5DWY; SCHEMBL412953; QGWNGFYEPGNYNY-UHFFFAOYSA-N; MolPort-002-121-406; BDBM50293513; ZINC13633702; STL388203; AKOS003232028; AKOS002341780; MCULE-2242877238; 4-(4-pyridylamino)-2-penyl quinazoline; 4-(4-Pyridvlamino)-2-Phenyl Quinazoline; 4-(4-pyridylamino)-2-phenyl 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); 298.3
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H14N4
  IUPAC Name: 2-phenyl-N-pyridin-4-ylquinazolin-4-amine
  Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=NC=C4
  InChI: InChI=1S/C19H14N4/c1-2-6-14(7-3-1)18-22-17-9-5-4-8-16(17)19(23-18)21-15-10-12-20-13-11-15/h1-13H,(H,20,21,22,23)
  InChIKey: QGWNGFYEPGNYNY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6456587
  ChEBI ID: CHEMBL564660
  TTD ID: D0V3OJ
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TGF-beta receptor type I (TGFBR1)	TTP4520	TGFR1_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
TGF-beta receptor type I (TGFBR1)	DTT	TGFBR1	2.62E-01	0.27	1.01

References

• [1] Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors. Bioorg Med Chem Lett. 2009 Apr 15;19(8):2277-81.