Details of the Drug

General Information of Drug (ID: DMDS2LZ)

Drug Name

4-(3-Chloro-phenoxy)-6,7-dimethoxy-quinazoline

Synonyms

CHEMBL135853; 4-(3-Chloro-phenoxy)-6,7-dimethoxy-quinazoline; SCHEMBL6182199; XDUSWBSGDKRQAF-UHFFFAOYSA-N; BDBM50291080

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)

316.74

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H13ClN2O3
IUPAC Name: 4-(3-chlorophenoxy)-6,7-dimethoxyquinazoline
Canonical SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC(=CC=C3)Cl)OC
InChI: InChI=1S/C16H13ClN2O3/c1-20-14-7-12-13(8-15(14)21-2)18-9-19-16(12)22-11-5-3-4-10(17)6-11/h3-9H,1-2H3
InChIKey: XDUSWBSGDKRQAF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
LCK tyrosine protein kinase (LCK)	TT860QF	LCK_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
LCK tyrosine protein kinase (LCK)	DTT	LCK	4.46E-02	-0.13	-1.09

Molecular Expression Atlas (MEA)

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References

1	he preparation and sar of 4-(anilino), 4-(phenoxy), and 4-(thiophenoxy)-quinazolines: Inhibitors of p56lck and EGF-R tyrosine kinase activity, Bioorg. Med. Chem. Lett. 7(4):417-420 (1997).