Details of the Drug

General Information of Drug (ID: DM1FSZM)

Drug Name

3-Cyclopent-1-enyl-6,7-dimethoxy-quinoline

Synonyms

CHEMBL66618; 3-Cyclopent-1-enyl-6,7-dimethoxy-quinoline; ZINC8079; SCHEMBL4364039; BDBM50039090

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)

255.31

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H17NO2
IUPAC Name: 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline
Canonical SMILES: COC1=CC2=CC(=CN=C2C=C1OC)C3=CCCC3
InChI: InChI=1S/C16H17NO2/c1-18-15-8-12-7-13(11-5-3-4-6-11)10-17-14(12)9-16(15)19-2/h5,7-10H,3-4,6H2,1-2H3
InChIKey: DVMMSUYWABLYCR-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.