Molecular Details
DICL_CP_0415460
- 2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0415460
PubChem CID
Molecular Formula
C26H28F3N3O2 Molecular Weight
471.523 g/mol
Synonyms/Alias
[883031-03-6; HC-067047; HC 067047; HC067047; 2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide; 2-Methyl-1-[3-(4-morpholinyl)propyl]-5-phenyl-N-[3-(trifl...
InChI Key
NCZYSQOTAYFTNM-UHFFFAOYSA-N
InChI
InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)1...
IUPAC Name
2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CAS Number
883031-03-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
62 65 0 0 0 0 0 0 0 0999 V2000
-0.1664 1.6952 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 0.2712 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7983 -0.141...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 4
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 900 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−100 to 100 mV mV
Temperature
22−23 °C
Test Method
Patch-clamping
Test Species
NPE cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
34
Rotatable Bonds
7
logP
5.4569
Complexity
125.8782
TPSA (Ų)
46.5
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4