Details of the Drug

General Information of Drug (ID: DMFO8DR)

Drug Name
(4-Phenoxy-phenyl)-quinazolin-4-yl-amine
Synonyms
CHEMBL304760; N-(4-phenoxyphenyl)quinazolin-4-amine; (4-Phenoxy-phenyl)-quinazolin-4-yl-amine; AC1LEH7Z; Neuro1_000298; Oprea1_168469; SCHEMBL5568872; MolPort-000-668-533; ZINC104659; BDBM50092231; STK918072; (4-phenoxyphenyl)quinazolin-4-ylamine; AKOS002241807; N-(4-Phenoxyphenyl)-4-quinazolinamine; MCULE-2087445269; ST50197248; EU-0074581; SR-01000459365
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): 1 Molecular Weight (mw) 313.4
Logarithm of the Partition Coefficient (xlogp) 5.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H15N3O
IUPAC Name
N-(4-phenoxyphenyl)quinazolin-4-amine
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43
InChI
InChI=1S/C20H15N3O/c1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-14H,(H,21,22,23)
InChIKey
RJOICMFRJBMONF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
712152
ChEBI ID
CHEMBL304760
TTD ID
D07AIB
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
Angiopoietin 1 receptor (TEK) TT9VGXW TIE2_HUMAN Inhibitor [1]
LCK tyrosine protein kinase (LCK) TT860QF LCK_HUMAN Inhibitor [1]
Vascular endothelial growth factor receptor 2 (KDR) TTUTJGQ VGFR2_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
Vascular endothelial growth factor receptor 2 (KDR) DTT KDR 1.98E-01 0.11 0.2
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Pyrrolo[2,3-d]pyrimidines containing an extended 5-substituent as potent and selective inhibitors of lck I. Bioorg Med Chem Lett. 2000 Oct 2;10(19):2167-70.