Molecular Details
DICL_CP_0338828
- [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0338828
PubChem CID
Molecular Formula
C20H20N4O Molecular Weight
332.407 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
YYLKKYCXAOBSRM-JXMROGBWSA-N
InChI
InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1...
IUPAC Name
[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone
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
45 48 0 0 0 0 0 0 0 0999 V2000
-3.6776 2.6972 -0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3679 1.5067 -0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4128 0.534...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 6
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: >10000 nM
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
3
logP
2.7787
Complexity
100.2369
TPSA (Ų)
61.02
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
4