Details of the Drug

General Information of Drug (ID: DM0OQTJ)

Drug Name

5-Fluoro-3-thiophen-3-yl-quinoline

Synonyms

CHEMBL305056; 5-fluoro-3-thiophen-3-yl-quinoline; SCHEMBL8501434; ZINC3834023

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)

229.27

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H8FNS
IUPAC Name: 5-fluoro-3-thiophen-3-ylquinoline
Canonical SMILES: C1=CC2=C(C=C(C=N2)C3=CSC=C3)C(=C1)F
InChI: InChI=1S/C13H8FNS/c14-12-2-1-3-13-11(12)6-10(7-15-13)9-4-5-16-8-9/h1-8H
InChIKey: BEVNNTNJJJWQAK-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]

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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 alpha (PDGFRA)	DTT	PDGFRA	3.46E-01	-0.23	-1.55

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

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.