Molecular Details
DICL_CP_0319231
- 5-[2-(trifluoromethyl)phenyl]-1H-indazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319231
PubChem CID
Molecular Formula
C14H9F3N2 Molecular Weight
262.234 g/mol
Synonyms/Alias
[CHEMBL3298242; SCHEMBL20267944; PJYBQLCOMOPZIT-UHFFFAOYSA-N; BDBM50022307; 5-[2-(trifluoromethyl)phenyl]-1H-indazole]
InChI Key
PJYBQLCOMOPZIT-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19)
IUPAC Name
5-[2-(trifluoromethyl)phenyl]-1H-indazole
CAS Number
1229096-88-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 30 0 0 0 0 0 0 0 0999 V2000
-2.8589 2.2786 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7795 1.3302 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3930 -0.001...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: >30000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
CHO-TREX cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
40 μM 2-Aminoethoxydiphenylborane (2-APB)
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
1
logP
4.2487
Complexity
66.5317
TPSA (Ų)
28.68
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
3