Details of the Drug

General Information of Drug (ID: DM5279R)

Drug Name

4-(3,5-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline

Synonyms

CHEMBL101733; 4-(3,5-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline

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)

341.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C19H19NO5
IUPAC Name: 4-(3,5-dimethoxyphenoxy)-6,7-dimethoxyquinoline
Canonical SMILES: COC1=CC(=CC(=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)OC
InChI: InChI=1S/C19H19NO5/c1-21-12-7-13(22-2)9-14(8-12)25-17-5-6-20-16-11-19(24-4)18(23-3)10-15(16)17/h5-11H,1-4H3
InChIKey: RNXKKASQCMYWCJ-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 beta (PDGFRB)	TTI7421	PGFRB_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 beta (PDGFRB)	DTT	PDGFRB	5.35E-10	0.36	0.89

Molecular Expression Atlas (MEA)

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References

1	A novel series of 4-phenoxyquinolines: potent and highly selective inhibitors of PDGF receptor autophosphorylation, Bioorg. Med. Chem. Lett. 7(23):2935-2940 (1997).