Molecular Details
DICL_CP_0312250
- 4-pyridin-2-ylpiperazine-1-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312250
PubChem CID
Molecular Formula
C10H14N4O Molecular Weight
206.249 g/mol
Synonyms/Alias
[CHEMBL296963; SCHEMBL1270156; BDBM50224176; AKOS000158821; 4-(2-pyridyl)piperazine-1-carboxamide; PD182332]
InChI Key
XYIDWLYTWKIZQC-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N4O/c11-10(15)14-7-5-13(6-8-14)9-3-1-2-4-12-9/h1-4H,5-8H2,(H2,11,15)
IUPAC Name
4-pyridin-2-ylpiperazine-1-carboxamide
CAS Number
393514-24-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
29 30 0 0 0 0 0 0 0 0999 V2000
0.3482 -0.6459 -1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7486 -1.1323 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 -0.134...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 1/2/4
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: 30 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 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Rattus norvegicus DRG neurons
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
1
logP
0.2823
Complexity
57.6064
TPSA (Ų)
62.46
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2