General Information of the Compound
Compound ID
CP0090662
Compound Name
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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Synonyms
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CHEMBL1086032
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Structure
Formula
C16H20N2
Molecular Weight
240.35
Canonical SMILES
C[C@@H]1CCCN1CCc1ccc2ncccc2c1
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InChI
InChI=1S/C16H20N2/c1-13-4-3-10-18(13)11-8-14-6-7-16-15(12-14)5-2-9-17-16/h2,5-7,9,12-13H,3-4,8,10-11H2,1H3/t13-/m1/s1
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InChIKey
HUQYUKHHFHNJRR-CYBMUJFWSA-N
Physicochemical Property
logP
3.2616
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 46890563
ChEMBL ID
CHEMBL1086032
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: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 40000 nM
Clinical Information about the Compound
Drug 1 ( (R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline )
Drug Name (R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
Target(s)
Voltage-gated potassium channel Kv11.1 (KCNH2)
 Target Info 
Inhibitor
Histamine H3 receptor (H3R)
 Target Info 
Inhibitor