General Information of the Compound
Compound ID
CP0011819
Compound Name
4-(3,4-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline
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Synonyms
4-(3,4-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline
6,7-Dimethoxy-4-(3,4-dimethoxyphenoxy)quinoline
CHEMBL327300
Ki-6783
SCHEMBL925876
ZQSHUGGLESWJFP-UHFFFAOYSA-N
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Structure
Formula
C19H19NO5
Molecular Weight
341.363
Canonical SMILES
COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
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InChI
InChI=1S/C19H19NO5/c1-21-16-6-5-12(9-17(16)22-2)25-15-7-8-20-14-11-19(24-4)18(23-3)10-13(14)15/h5-11H,1-4H3
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InChIKey
ZQSHUGGLESWJFP-UHFFFAOYSA-N
Physicochemical Property
logP
4.0615
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
59.04
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9927943
SID: 14900333
ChEMBL ID
CHEMBL327300
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM
Protein ID: PT01091, Fibroblast growth factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01101, Insulin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(3,4-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline )
Drug Name 4-(3,4-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline
Target(s)
Platelet-derived growth factor receptor beta (PDGFRB)
Inhibitor
Platelet-derived growth factor receptor alpha (PDGFRA)
Inhibitor