General Information of the Compound
Compound ID
CP0862267
Compound Name
[4-(1H-imidazol-4-yl)-butyl]-dimethyl-amine
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Structure
Formula
C9H17N3
Molecular Weight
167.256
Canonical SMILES
CN(C)CCCCc1c[nH]cn1
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InChI
InChI=1S/C9H17N3/c1-12(2)6-4-3-5-9-7-10-8-11-9/h7-8H,3-6H2,1-2H3,(H,10,11)
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InChIKey
ZJDRDLAAEMFCJV-UHFFFAOYSA-N
Physicochemical Property
logP
1.294
Rotatable Bonds
5
Heavy Atom Count
12
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 11708125
SID: 16812815
ChEMBL ID
CHEMBL206000
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)  2
1
EC50 = 1.259 nM
   TI
   LI
   LO
   TS
2
Ki = 3.162 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 = 794.33 nM
   TI
   LI
   LO
   TS