Molecular Details
DICL_CP_0401632
- 5-[2-[4-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0401632
PubChem CID
Molecular Formula
C24H26N6O3 Molecular Weight
446.511 g/mol
Synonyms/Alias
[CHEMBL2441414; SCHEMBL15196750; BDBM50442622]
InChI Key
SDGVLWXHBWHIQR-UHFFFAOYSA-N
InChI
InChI=1S/C24H26N6O3/c1-17-12-21(30-16-25-26-27-30)4-3-19(17)14-23(31)29-10-8-28(9-11-29)7-6-18-2-5-2...
IUPAC Name
5-[2-[4-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
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
59 63 0 0 0 0 0 0 0 0999 V2000
-4.9396 1.6738 -1.9369 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4631 0.6741 -0.9383 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6723 0.226...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 10
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: 304800 nM
Inhibition
N/A (Not available)
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
33
Rotatable Bonds
6
logP
1.5705
Complexity
119.8805
TPSA (Ų)
93.45
H-Bond Donors
0
H-Bond Acceptors
8
Ring Count
5