Details of the Drug

General Information of Drug (ID: DM3YSNX)

Drug Name

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

Synonyms

CHEMBL99272; 6,7-Dimethoxy-4-(3-nitro-phenoxy)-quinoline; SCHEMBL7482913; OMYGYNKHKZLDSH-UHFFFAOYSA-N; BDBM50290844

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)

326.3

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C17H14N2O5
IUPAC Name: 6,7-dimethoxy-4-(3-nitrophenoxy)quinoline
Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=CC(=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H14N2O5/c1-22-16-9-13-14(10-17(16)23-2)18-7-6-15(13)24-12-5-3-4-11(8-12)19(20)21/h3-10H,1-2H3
InChIKey: OMYGYNKHKZLDSH-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).