Details of the Drug

General Information of Drug (ID: DMRW5J4)

Drug Name
Benzyl-quinazolin-4-yl-amine
Synonyms
N-Benzylquinazolin-4-amine; N-benzyl-N-(4-quinazolinyl)amine; 4-(Benzylamino)quinazoline; Benzyl-quinazolin-4-yl-amine; 100818-54-0; 4-Benzylaminoquinazoline; AC1LDDI3; benzylquinazolin-4-ylamine; ChemDiv2_003678; N-benzyl-4-quinazolineamine; Oprea1_089836; MLS000701321; N-Benzyl-4-quinazolinamine #; cid_616573; CHEMBL102726; BDBM3256; SCHEMBL7612718; CHEBI:92768; MolPort-001-960-903; FVWANTDQRFSCAL-UHFFFAOYSA-N; HMS2233F15; HMS3373H15; HMS1379H04; ZINC109589; 4-[(phenylmethyl)amino]quinazoline; N-(phenylmethyl)-4-quinazolinamine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 271.74
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C15H14ClN3
IUPAC Name
N-benzylquinazolin-4-amine;hydrochloride
Canonical SMILES
C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32.Cl
InChI
InChI=1S/C15H13N3.ClH/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15;/h1-9,11H,10H2,(H,16,17,18);1H
InChIKey
DIKWZEPKULLMFX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6603129
ChEBI ID
CHEMBL1444764
TTD ID
D01WDI
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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 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
Epidermal growth factor receptor (EGFR) DTT EGFR 5.84E-05 0.32 0.55
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.