Molecular Details
DICL_CP_0330360
- N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0330360
PubChem CID
Molecular Formula
C18H20N4O Molecular Weight
308.385 g/mol
Synonyms/Alias
[CHEMBL196305]
InChI Key
ZSVTXHJVOOLAPX-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N4O/c1-12-5-7-14(8-6-12)17-15(11-16(23)21(3)4)18-19-13(2)9-10-22(18)20-17/h5-10H,11H2...
IUPAC Name
N,N-dimethyl-2-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
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
43 45 0 0 0 0 0 0 0 0999 V2000
-3.6617 -3.8913 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9086 -2.6262 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1896 -1.880...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit (ρ1)
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 31 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Benzodiazepine binding site
Disease Information
Related Disease
Anxiolytic-like Properties
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
3
logP
2.6438
Complexity
90.295
TPSA (Ų)
50.5
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3