General Information of the Compound
Compound ID
CP0191294
Compound Name
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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Structure
Formula
C24H26N4
Molecular Weight
370.5
Canonical SMILES
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)nc2ccccn12
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InChI
InChI=1S/C24H26N4/c1-17-6-5-13-27(17)15-12-19-8-10-21-20(16-19)9-11-22(26-21)24-18(2)25-23-7-3-4-14-28(23)24/h3-4,7-11,14,16-17H,5-6,12-13,15H2,1-2H3/t17-/m1/s1
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InChIKey
KOLWUEPBLSFTTN-QGZVFWFLSA-N
Physicochemical Property
logP
4.88472
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
33.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 11710453
SID: 16815296
ChEMBL ID
CHEMBL1084385
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8000 nM