General Information of the Compound
Compound ID
CP0510855
Compound Name
3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
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Synonyms
(R)-3-(2-(2-methylpyrrolidin-1-yl)ethyl)pyridine
CHEMBL271226
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Structure
Formula
C12H18N2
Molecular Weight
190.29
Canonical SMILES
C[C@@H]1CCCN1CCc1cccnc1
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InChI
InChI=1S/C12H18N2/c1-11-4-3-8-14(11)9-6-12-5-2-7-13-10-12/h2,5,7,10-11H,3-4,6,8-9H2,1H3/t11-/m1/s1
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InChIKey
WJLLZUXQRCOTAJ-LLVKDONJSA-N
Physicochemical Property
logP
2.1084
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 44455920
ChEMBL ID
CHEMBL271226
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 = 300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)-3-(2-(2-methylpyrrolidin-1-yl)ethyl)pyridine )
Drug Name (R)-3-(2-(2-methylpyrrolidin-1-yl)ethyl)pyridine
Target(s)
Histamine H3 receptor (H3R)
Inhibitor