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
Structure
3D MOL 2D MOL
#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
TTD ID
D0V3OJ

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.