Molecular Details
DICL_CP_0324786
- 3,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1-cyclopentane]
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0324786
PubChem CID
Molecular Formula
C19H32N2 Molecular Weight
288.479 g/mol
Synonyms/Alias
[Tedisamil; 90961-53-8; Pulzium; Tedisamilum; KC-8857; 3;7-bis(cyclopropylmethyl)spiro[3;7-diazabicyclo[3.3.1]nonane-9;1-cyclopentane]; KC8857; KC 8857; A5VAY2U3R8; 3;7-Bis(cyclopropylmethyl)spiro(cyc...
InChI Key
CTIRHWCPXYGDGF-UHFFFAOYSA-N
InChI
InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H...
IUPAC Name
3,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1-cyclopentane]
CAS Number
90961-53-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 25 0 0 0 0 0 0 0 0999 V2000
2.7457 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 1.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7938 1...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily E member 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 14000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−80 to 50 mV mV
Temperature
23 ± 1 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
4
logP
3.2304
Complexity
86.209
TPSA (Ų)
6.48
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
5