Molecular Details
DICL_CP_0399506
- 7-methyl-4-(4-(4-phenoxyphenoxy)butoxy)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0399506
PubChem CID
N/A (Not available)
Molecular Formula
C30H34O3 Molecular Weight
442.599 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
DHZXOHNZLZEEBG-UHFFFAOYSA-N
InChI
InChI=1S/C30H34O3/c1-22-12-17-29-24(20-22)21-23-8-7-11-28(23)30(29)32-19-6-5-18-31-25-13-15-27(16-14...
IUPAC Name
7-methyl-4-(4-(4-phenoxyphenoxy)butoxy)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
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
33 37 0 0 0 0 0 0 0 0999 V2000
-6.4880 -5.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2229 -3.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8117 -3...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily D member 2/KChIP1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 15000 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 7.6
Holding Potential
−60 to 50 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
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
9
logP
7.3304
Complexity
132.838
TPSA (Ų)
27.69
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
5