Molecular Details
DICL_CP_0316135
- 2-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316135
PubChem CID
Molecular Formula
C13H13N5 Molecular Weight
239.282 g/mol
Synonyms/Alias
[SCHEMBL17494120; BDBM311049; US10155727; Example 104]
InChI Key
MYVGSZBCKCBYMQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N5/c1-17-7-5-12(16-17)10-18-9-11(8-15-18)13-4-2-3-6-14-13/h2-9H,10H2,1H3
IUPAC Name
2-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyridine
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
18 20 0 0 0 0 0 0 0 0999 V2000
-3.6356 3.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7314 1.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9987 0...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptors subunit NR1/NR2B
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 100000 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
4 ℃
Test Method
Binding assay ([3H] Dofetilide)
Test Species
Rattus norvegicus brain
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
useful in treating central nervous system diseases
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
USRE49517
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
3
logP
1.7269
Complexity
67.768
TPSA (Ų)
48.53
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
3