General Information of the Compound
Compound ID
CP0405967
Compound Name
4-(2-(4-Methoxyphenylamino)ethyl)-1H-imidazole
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Synonyms
4-(2-(4-Methoxyphenylamino)ethyl)-1H-imidazole
CHEMBL1098527
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Structure
Formula
C12H14N2OS
Molecular Weight
234.324
Canonical SMILES
COc1ccc(SCCc2cnc[nH]2)cc1
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InChI
InChI=1S/C12H14N2OS/c1-15-11-2-4-12(5-3-11)16-7-6-10-8-13-9-14-10/h2-5,8-9H,6-7H2,1H3,(H,13,14)
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InChIKey
MFQHSSADNRVZAE-UHFFFAOYSA-N
Physicochemical Property
logP
2.7531
Rotatable Bonds
5
Heavy Atom Count
16
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 46888007
ChEMBL ID
CHEMBL1098527
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 65 nM
   TI
   LI
   LO
   TS
2
Ki = 24 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-(4-Methoxyphenylamino)ethyl)-1H-imidazole )
Drug Name 4-(2-(4-Methoxyphenylamino)ethyl)-1H-imidazole
Target(s)
Histamine H3 receptor (H3R)
Inhibitor