Molecular Details
DICL_CP_0350899
- N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0350899
PubChem CID
N/A (Not available)
Molecular Formula
C18H14F3N3O2 Molecular Weight
361.323 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
JGKRGWHVQKPHKC-NSHDSACASA-N
InChI
InChI=1S/C18H14F3N3O2/c1-11(23-17(25)12-5-3-2-4-6-12)15-10-14(24-26-15)13-7-8-22-16(9-13)18(19,20)21...
IUPAC Name
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-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
26 28 0 0 0 0 0 0 0 0999 V2000
3.2773 4.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2800 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: 10500 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
26
Rotatable Bonds
4
logP
4.2464
Complexity
87.0592
TPSA (Ų)
68.02
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3