Details of the Drug

General Information of Drug (ID: DMFM9SH)

Drug Name

4-(3-Ethyl-phenoxy)-6,7-dimethoxy-quinoline

Synonyms

CHEMBL100765; 4-(3-Ethyl-phenoxy)-6,7-dimethoxy-quinoline

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)

309.4

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H19NO3
IUPAC Name: 4-(3-ethylphenoxy)-6,7-dimethoxyquinoline
Canonical SMILES: CCC1=CC(=CC=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC
InChI: InChI=1S/C19H19NO3/c1-4-13-6-5-7-14(10-13)23-17-8-9-20-16-12-19(22-3)18(21-2)11-15(16)17/h5-12H,4H2,1-3H3
InChIKey: BXXFKNUQXUJVKP-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 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 novel series of 4-phenoxyquinolines: potent and highly selective inhibitors of PDGF receptor autophosphorylation, Bioorg. Med. Chem. Lett. 7(23):2935-2940 (1997).