Molecular Details
DICL_CP_0383287
- 1-[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]etha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0383287
PubChem CID
Molecular Formula
C21H22N8O2 Molecular Weight
418.461 g/mol
Synonyms/Alias
[CHEMBL2441436; SCHEMBL2731436; OMDQMYACEIXKDK-UHFFFAOYSA-N; BDBM50442601; 1-{4-[2-(2;1;3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl}-2-[4-(1H-tetrazol-1-yl)phenyl]etha]
InChI Key
OMDQMYACEIXKDK-UHFFFAOYSA-N
InChI
InChI=1S/C21H22N8O2/c30-21(14-16-1-4-18(5-2-16)29-15-22-25-26-29)28-11-9-27(10-12-28)8-7-17-3-6-19-2...
IUPAC Name
1-[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]etha
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
53 57 0 0 0 0 0 0 0 0999 V2000
-1.7943 -0.2498 1.5529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 -0.5068 1.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2584 0.510...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 2/3
Uniprot Accession Number
Function
Inactive
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.4
Holding Potential
−70 to 70 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
31
Rotatable Bonds
6
logP
1.1279
Complexity
111.386
TPSA (Ų)
106.07
H-Bond Donors
0
H-Bond Acceptors
9
Ring Count
5