General Information of the Compound
Compound ID
CP0845085
Compound Name
2-[2-(3H-Imidazol-4-yl)-ethyl]-pyridine
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Structure
Formula
C10H11N3
Molecular Weight
173.219
Canonical SMILES
c1ccc(CCc2c[nH]cn2)nc1
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InChI
InChI=1S/C10H11N3/c1-2-6-12-9(3-1)4-5-10-7-11-8-13-10/h1-3,6-8H,4-5H2,(H,11,13)
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InChIKey
KZRQLGIMXSUKBW-UHFFFAOYSA-N
Physicochemical Property
logP
1.5899
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 11206058
SID: 16288071
ChEMBL ID
CHEMBL310360
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
CL000074 SK-N-MC Homo sapiens (Human)  2
1
EC50 = 1348.96 nM
   TI
   LI
   LO
   TS
2
Ki = 1174.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  2
1
EC50 = 58884.37 nM
   TI
   LI
   LO
   TS
2
Ki = 12302.69 nM
   TI
   LI
   LO
   TS