General Information of the Compound
Compound ID
CP0221672
Compound Name
2-(2-methoxyphenoxy)-3-(piperidin-4-yl)pyridine
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Synonyms
2-(2-methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CHEMBL597531
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Structure
Formula
C17H20N2O2
Molecular Weight
284.359
Canonical SMILES
COc1ccccc1Oc1ncccc1C1CCNCC1
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InChI
InChI=1S/C17H20N2O2/c1-20-15-6-2-3-7-16(15)21-17-14(5-4-10-19-17)13-8-11-18-12-9-13/h2-7,10,13,18H,8-9,11-12H2,1H3
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InChIKey
GZJLFOYGSNAXDK-UHFFFAOYSA-N
Physicochemical Property
logP
3.3495
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
43.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 44133674
ChEMBL ID
CHEMBL597531
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: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 6410 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 292 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 610 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-methoxyphenoxy)-3-(piperidin-4-yl)pyridine )
Drug Name 2-(2-methoxyphenoxy)-3-(piperidin-4-yl)pyridine
Target(s)
Norepinephrine transporter (NET)
Inhibitor
Serotonin transporter (SERT)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
Dopamine transporter (DAT)
Inhibitor