General Information of the Compound
Compound ID
CP0214392
Compound Name
5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole
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Synonyms
152028-96-1
1H-Imidazole, 4-(3-((4-iodophenyl)methoxy)propyl)-
3-(1H-Imidazol-4-yl)propyl-(4-iodophenyl)methyl ether
4-[3-[(4-iodophenyl)methoxy]propyl]-3H-imidazole
5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole
5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole
AC1L31V0
BDBM22916
CHEMBL19010
DTXSID30164942
GTPL1253
IODOPROXYFAN
Iodoproxyfan
L010934
PDSP1_000544
PDSP2_000542
SCHEMBL3089477
ZINC5117186
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Structure
Formula
C13H15IN2O
Molecular Weight
342.18
Canonical SMILES
Ic1ccc(COCCCc2cnc[nH]2)cc1
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InChI
InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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InChIKey
DCQNAFOCXVCDLB-UHFFFAOYSA-N
CAS
152028-96-1
Physicochemical Property
logP
3.1637
Rotatable Bonds
6
Heavy Atom Count
17
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 132937
SID: 14827257
ChEMBL ID
CHEMBL19010
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 = 0.05012 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 0.631 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 0.631 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 41 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 = 71 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 = 12.59 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 12.59 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 12.59 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( IODOPROXYFAN )
Drug Name IODOPROXYFAN
Target(s)
Histamine H3 receptor (H3R)
 Target Info 
Inhibitor