Molecular Details
DICL_CP_0312216
- N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312216
PubChem CID
Molecular Formula
C8H6N4OS Molecular Weight
206.23 g/mol
Synonyms/Alias
[51987-99-6; TGN-020; n-(1;3;4-thiadiazol-2-yl)nicotinamide; N-(1;3;4-thiadiazol-2-yl)pyridine-3-carboxamide; N-(1;3;4-THIADIAZOLYL)NICOTINAMIDE; TGN 020; N-1;3;4-Thiadiazol-2-yl-3-pyridinecarboxamide...
InChI Key
AGEGZHOPKZFKBP-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N4OS/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13)
IUPAC Name
N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
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
14 15 0 0 0 0 0 0 0 0999 V2000
4.1005 -0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6291 -1.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6408 -0...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-4
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 3500 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
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
2
logP
1.1854
Complexity
52.0992
TPSA (Ų)
67.77
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
2