Molecular Details
DICL_CP_0324799
- 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0324799
PubChem CID
Molecular Formula
C14H13ClN4O Molecular Weight
288.738 g/mol
Synonyms/Alias
[CHEMBL443165; BDBM50275796; 5-chloro-N-(2-methoxybenzyl)pyrazolo[1;5-a]pyrimidin-7-amine]
InChI Key
QHRAEVKEZZEIFJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H13ClN4O/c1-20-11-5-3-2-4-10(11)9-16-14-8-12(15)18-13-6-7-17-19(13)14/h2-8,16H,9H2,1H3
IUPAC Name
5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
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
33 35 0 0 0 0 0 0 0 0999 V2000
-2.8791 -1.5479 -2.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0999 -1.1692 -0.8704 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 -0.310...
Experimental Data
Activity Data
Target Ion Channel
Intermediate/Small conductance calcium activated potassium channel subfamily N member 2 (KCa2.2)
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 1100 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
4
logP
3.0034
Complexity
78.3177
TPSA (Ų)
51.45
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3