General Information of the Compound
Compound ID
CP0881055
Compound Name
ethyl-[5-(1H-imidazol-4-yl)-pentyl]-amine
    Show/Hide
Structure
Formula
C10H19N3
Molecular Weight
181.283
Canonical SMILES
CCNCCCCCc1c[nH]cn1
    Show/Hide
InChI
InChI=1S/C10H19N3/c1-2-11-7-5-3-4-6-10-8-12-9-13-10/h8-9,11H,2-7H2,1H3,(H,12,13)
    Show/Hide
InChIKey
DJKRSNUQFVHUTB-UHFFFAOYSA-N
Physicochemical Property
logP
1.732
Rotatable Bonds
7
Heavy Atom Count
13
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11679919
SID: 16783943
ChEMBL ID
CHEMBL204413
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)  1
1
Ki = 7.943 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)  1
1
Ki = 316.23 nM
   TI
   LI
   LO
   TS