Details of the Drug

General Information of Drug (ID: DMPYGK9)

Drug Name

6,7-Dimethoxy-3-(2-methoxy-phenyl)-quinoline

Synonyms

CHEMBL419248; 6,7-Dimethoxy-3-(2-methoxy-phenyl)-quinoline; ZINC13737710

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)

295.3

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H17NO3
IUPAC Name: 6,7-dimethoxy-3-(2-methoxyphenyl)quinoline
Canonical SMILES: COC1=CC=CC=C1C2=CN=C3C=C(C(=CC3=C2)OC)OC
InChI: InChI=1S/C18H17NO3/c1-20-16-7-5-4-6-14(16)13-8-12-9-17(21-2)18(22-3)10-15(12)19-11-13/h4-11H,1-3H3
InChIKey: ZGHJQSABDREYEE-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-derived growth factor receptor alpha (PDGFRA)	TT8FYO9	PGFRA_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
Platelet-derived growth factor receptor alpha (PDGFRA)	DTT	PDGFRA	3.46E-01	-0.23	-1.55

Molecular Expression Atlas (MEA)

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References

1	A new series of PDGF receptor tyrosine kinase inhibitors: 3-substituted quinoline derivatives. J Med Chem. 1994 Jul 8;37(14):2129-37.