Details of the Drug

General Information of Drug (ID: DMMU5SO)

Drug Name

7-Thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline

Synonyms

CHEMBL69378; 7-Thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline; ZINC3832255

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)

255.29

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H9NO2S
IUPAC Name: 7-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline
Canonical SMILES: C1OC2=CC3=CC(=CN=C3C=C2O1)C4=CSC=C4
InChI: InChI=1S/C14H9NO2S/c1-2-18-7-9(1)11-3-10-4-13-14(17-8-16-13)5-12(10)15-6-11/h1-7H,8H2
InChIKey: YSBLLMHIZDPXPM-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.