Molecular Details
DICL_CP_0403055
- N-(5-chloropyridin-2-yl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0403055
PubChem CID
Molecular Formula
C24H21ClN4O3 Molecular Weight
448.91 g/mol
Synonyms/Alias
[CHEMBL260354; BDBM50377650]
InChI Key
XHCHFTFQYXEUCN-UHFFFAOYSA-N
InChI
InChI=1S/C24H21ClN4O3/c25-17-10-13-21(26-15-17)28-24(32)19-5-1-2-6-20(19)27-23(31)16-8-11-18(12-9-16...
IUPAC Name
N-(5-chloropyridin-2-yl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
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
53 56 0 0 0 0 0 0 0 0999 V2000
-7.3233 -0.8775 1.5687 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4911 -1.7890 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4879 -0.965...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential canonical 3/6/7
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 2000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
32 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
32
Rotatable Bonds
5
logP
4.7565
Complexity
124.2414
TPSA (Ų)
91.4
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
4