Molecular Details
DICL_CP_0316798
- N-(6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316798
PubChem CID
Molecular Formula
C12H9ClN4 Molecular Weight
244.685 g/mol
Synonyms/Alias
SCHEMBL26957515
InChI Key
VQYQLHFPAVOHHI-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClN4/c13-10-2-1-9(7-16-10)17-12-11-8(3-5-14-11)4-6-15-12/h1-7,14H,(H,15,17)
IUPAC Name
N-(6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-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
17 19 0 0 0 0 0 0 0 0999 V2000
5.9221 -0.5560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 -0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4000 -1...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2/3
Uniprot Accession Number
Function
Positive Allosteric Modulator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 5500 nM
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
potassium flux assay
Test Species
HEK 293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
treating seizure disorders such as epilepsy
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US20240101531
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
2
logP
3.3549
Complexity
68.6234
TPSA (Ų)
53.6
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3