General Information of the Compound
Compound ID
CP0457790
Compound Name
5-ethyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
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Structure
Formula
C14H22N2
Molecular Weight
218.344
Canonical SMILES
CCc1ccc(CCN2CCC[C@H]2C)nc1
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InChI
InChI=1S/C14H22N2/c1-3-13-6-7-14(15-11-13)8-10-16-9-4-5-12(16)2/h6-7,11-12H,3-5,8-10H2,1-2H3/t12-/m1/s1
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InChIKey
ZSJJIKXUSRBLQB-GFCCVEGCSA-N
Physicochemical Property
logP
2.6708
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 44456450
ChEMBL ID
CHEMBL408259
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 34 nM
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