General Information of the Compound
Compound ID
CP0406785
Compound Name
4-(2-(Cyclohexylamino)ethyl)-1H-imidazole
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Synonyms
4-(2-(Cyclohexylamino)ethyl)-1H-imidazole
BDBM50317872
CHEMBL1096513
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Structure
Formula
C11H19N3
Molecular Weight
193.294
Canonical SMILES
C(Cc1cnc[nH]1)NC1CCCCC1
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InChI
InChI=1S/C11H19N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h8-10,13H,1-7H2,(H,12,14)
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InChIKey
OKJFYIHINPOKMF-UHFFFAOYSA-N
Physicochemical Property
logP
1.8745
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
40.71
Hydrogen Bond Donor Count
2
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: 12647300
SID: 96076482
ChEMBL ID
CHEMBL1096513
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 = 3400 nM
   TI
   LI
   LO
   TS
2
Ki = 1600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-(Cyclohexylamino)ethyl)-1H-imidazole )
Drug Name 4-(2-(Cyclohexylamino)ethyl)-1H-imidazole
Target(s)
Histamine H3 receptor (H3R)
Inhibitor