Details of the Drug

General Information of Drug (ID: DM3P79O)

Drug Name

5,7-Dimethyl-3-thiophen-3-yl-quinoline

Synonyms

CHEMBL304333; 5,7-dimethyl-3-thiophen-3-yl-quinoline; SCHEMBL8501282; ZINC3832218

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)

239.3

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H13NS
IUPAC Name: 5,7-dimethyl-3-thiophen-3-ylquinoline
Canonical SMILES: CC1=CC(=C2C=C(C=NC2=C1)C3=CSC=C3)C
InChI: InChI=1S/C15H13NS/c1-10-5-11(2)14-7-13(8-16-15(14)6-10)12-3-4-17-9-12/h3-9H,1-2H3
InChIKey: YXZQRTLGEGYVTJ-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.