Details of the Drug

General Information of Drug (ID: DM53CLY)

Drug Name

5,6,7-Trimethoxy-3-pyridin-4-yl-quinoline

Synonyms

CHEMBL86717; 5,6,7-trimethoxy-3-pyridin-4-yl-quinoline; BDBM50039649

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)

296.32

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H16N2O3
IUPAC Name: 5,6,7-trimethoxy-3-pyridin-4-ylquinoline
Canonical SMILES: COC1=C(C(=C2C=C(C=NC2=C1)C3=CC=NC=C3)OC)OC
InChI: InChI=1S/C17H16N2O3/c1-20-15-9-14-13(16(21-2)17(15)22-3)8-12(10-19-14)11-4-6-18-7-5-11/h4-10H,1-3H3
InChIKey: FQVDOOFEQQAHPX-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]
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	5,7-Dimethoxy-3-(4-pyridinyl)quinoline is a potent and selective inhibitor of human vascular beta-type platelet-derived growth factor receptor tyro... J Med Chem. 1994 Aug 19;37(17):2627-9.