General Information of the Compound
Compound ID
CP0845651
Compound Name
4-[3-(3H-Imidazol-4-yl)-propyl]-pyridine
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Structure
Formula
C11H13N3
Molecular Weight
187.246
Canonical SMILES
c1cc(CCCc2c[nH]cn2)ccn1
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InChI
InChI=1S/C11H13N3/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10/h4-9H,1-3H2,(H,13,14)
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InChIKey
UKKROAMTGBMPKN-UHFFFAOYSA-N
Physicochemical Property
logP
1.98
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
41.57
Hydrogen Bond Donor Count
1
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: 11469514
SID: 16569755
ChEMBL ID
CHEMBL309654
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 = 19.5 nM
   TI
   LI
   LO
   TS
2
Ki = 15.49 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 = 1548.82 nM
   TI
   LI
   LO
   TS
2
Ki = 1000 nM
   TI
   LI
   LO
   TS