Details of the Drug

General Information of Drug (ID: DMM7NHI)

Drug Name

6,7-Dimethoxy-3-(4-nitro-phenyl)-quinoline

Synonyms

CHEMBL69585; 6,7-Dimethoxy-3-(4-nitro-phenyl)-quinoline; ZINC3834037

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)

310.3

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H14N2O4
IUPAC Name: 6,7-dimethoxy-3-(4-nitrophenyl)quinoline
Canonical SMILES: COC1=CC2=CC(=CN=C2C=C1OC)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H14N2O4/c1-22-16-8-12-7-13(10-18-15(12)9-17(16)23-2)11-3-5-14(6-4-11)19(20)21/h3-10H,1-2H3
InChIKey: FLEDIDSHIXDOQR-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	A new series of PDGF receptor tyrosine kinase inhibitors: 3-substituted quinoline derivatives. J Med Chem. 1994 Jul 8;37(14):2129-37.