Molecular Details
DICL_CP_0346150
- N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0346150
PubChem CID
N/A (Not available)
Molecular Formula
C19H18N4OS Molecular Weight
350.447 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
WEUNBGRGZBCACN-GFCCVEGCSA-N
InChI
InChI=1S/C19H18N4OS/c1-12(21-18(24)14-5-3-2-4-6-14)19-22-17(23-25-19)15-9-10-20-16(11-15)13-7-8-13/h...
IUPAC Name
N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]benzamide
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
25 28 0 0 0 0 0 0 0 0999 V2000
2.8995 4.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2254 2.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0488 1...
Experimental Data
Activity Data
Target Ion Channel
Potassium channel subfamily T member 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: <1000 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
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US20230285377
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
5
logP
3.9685
Complexity
97.4382
TPSA (Ų)
67.77
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
4