Molecular Details
DICL_CP_0319662
- 5-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319662
PubChem CID
Molecular Formula
C11H9ClN4S Molecular Weight
264.741 g/mol
Synonyms/Alias
[CHEMBL472452; BDBM50275960; NCGC00478785-01; 5-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1;5-a]pyrimidin-7-amine]
InChI Key
CYMQFMRIPVOICF-UHFFFAOYSA-N
InChI
InChI=1S/C11H9ClN4S/c12-9-6-11(13-7-8-2-1-5-17-8)16-10(15-9)3-4-14-16/h1-6,13H,7H2
IUPAC Name
5-chloro-N-(thiophen-2-ylmethyl)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
26 28 0 0 0 0 0 0 0 0999 V2000
3.5105 0.1972 -1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8974 0.6529 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9598 -0.126...
Experimental Data
Activity Data
Target Ion Channel
Intermediate/Small conductance calcium activated potassium channel subfamily N member 1
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 300 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
17
Rotatable Bonds
3
logP
3.0563
Complexity
69.6427
TPSA (Ų)
42.22
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3