Molecular Details
DICL_CP_0329584
- N-(3-benzamidophenyl)furan-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0329584
PubChem CID
Molecular Formula
C18H14N2O3 Molecular Weight
306.321 g/mol
Synonyms/Alias
[CHEMBL1716797; Oprea1_115835; Oprea1_276617; MLS001220021; Furan-2-carboxylic acid (3-benzoylamino-phenyl)-amide; N-{3-[(phenylcarbonyl)amino]phenyl}furan-2-carboxamide; HMS2894C06; KUC108711N; BDBM5...
InChI Key
RTXREVNFKIEUGS-UHFFFAOYSA-N
InChI
InChI=1S/C18H14N2O3/c21-17(13-6-2-1-3-7-13)19-14-8-4-9-15(12-14)20-18(22)16-10-5-11-23-16/h1-12H,(H,...
IUPAC Name
N-(3-benzamidophenyl)furan-2-carboxamide
CAS Number
371116-39-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 25 0 0 0 0 0 0 0 0999 V2000
-6.6966 -2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9795 -0.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8453 0...
Experimental Data
Activity Data
Target Ion Channel
Two-pore domain potassium channel subfamily K member 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 37 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 5.8
Holding Potential
Not specified
Temperature
23 °C
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
4
logP
3.7842
Complexity
87.4984
TPSA (Ų)
71.34
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3