Details of the Drug

General Information of Drug (ID: DMX3AMB)

Drug Name

3-(3,4-Difluoro-phenyl)-6,7-dimethoxy-quinoline

Synonyms

CHEMBL67424; 3-(3,4-Difluoro-phenyl)-6,7-dimethoxy-quinoline; ZINC3834040

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)

301.29

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H13F2NO2
IUPAC Name: 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline
Canonical SMILES: COC1=CC2=CC(=CN=C2C=C1OC)C3=CC(=C(C=C3)F)F
InChI: InChI=1S/C17H13F2NO2/c1-21-16-7-11-5-12(9-20-15(11)8-17(16)22-2)10-3-4-13(18)14(19)6-10/h3-9H,1-2H3
InChIKey: RETQZWLIOAJIRM-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.