General Information of the Compound
Compound ID
CP0213459
Compound Name
3-(1H-imidazol-4-yl)propylphenylmethyl ether
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Synonyms
1H-Imidazole, 5-[3-(phenylmethoxy)propyl]-
3-(1H-imidazol-4-yl)propylphenylmethyl ether
4-(3-Benzyloxypropyl)-1H-imidazole
4-[3-(phenylmethoxy)propyl]-3H-imidazole
5-(3-phenylmethoxypropyl)-1H-imidazole
5-[3-(benzyloxy)propyl]-1H-imidazole
AC1O4XL1
BDBM22915
CHEBI:93359
CHEMBL19173
GTPL1255
NCGC00159580-01
Proxyfan
SCHEMBL15929504
SCHEMBL4072620
WNWALBVQAAIULR-UHFFFAOYSA-N
ZINC13813304
proxifan
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Structure
Formula
C13H16N2O
Molecular Weight
216.284
Canonical SMILES
C(COCc1ccccc1)Cc1cnc[nH]1
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InChI
InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
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InChIKey
WNWALBVQAAIULR-UHFFFAOYSA-N
Physicochemical Property
logP
2.5591
Rotatable Bonds
6
Heavy Atom Count
16
Polar Areas
37.91
Hydrogen Bond Donor Count
1
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: 6421522
SID: 15018514
ChEMBL ID
CHEMBL19173
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 3.162 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 12.59 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Ki = 2.512 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 2.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01173, Histamine H3 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 63.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 50.12 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Proxyfan )
Drug Name Proxyfan
Target(s)
Histamine H3 receptor (H3R)
 Target Info 
Antagonist