Details of the Drug

General Information of Drug (ID: DMLSGU1)

Drug Name

4-(5-Bromoindole-3-yl)-6,7-dimethoxyquinazoline

Synonyms

CHEMBL473320; 4-(5-Bromoindole-3-yl)-6,7-dimethoxyquinazoline; SCHEMBL5616932

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

384.2

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H14BrN3O2
IUPAC Name: 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline
Canonical SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)C3=CNC4=C3C=C(C=C4)Br)OC
InChI: InChI=1S/C18H14BrN3O2/c1-23-16-6-12-15(7-17(16)24-2)21-9-22-18(12)13-8-20-14-4-3-10(19)5-11(13)14/h3-9,20H,1-2H3
InChIKey: MWBJNWJINFGNLQ-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

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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)

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References

1	Syntheses of 4-(indole-3-yl)quinazolines: a new class of epidermal growth factor receptor tyrosine kinase inhibitors. Eur J Med Chem. 2008 Jul;43(7):1478-88.