Molecular Details
DICL_CP_0321447
- (2R3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methylpropanamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0321447
PubChem CID
Molecular Formula
C15H22N4O Molecular Weight
274.368 g/mol
Synonyms/Alias
[PF-06305591; 1449473-97-5; PF-6305591; G5Y3F1X9MU; (alphaRbetaS)-beta-Amino-6-(11-dimethylethyl)-alpha-methyl-1H-benzimidazole-2-propanamide; UNII-G5Y3F1X9MU; (2R3S)-3-amino-3-(6-tert-butyl-1H-benzim...
InChI Key
APWZIFIAVVFPNT-PELKAZGASA-N
InChI
InChI=1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2...
IUPAC Name
(2R3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methylpropanamide
CAS Number
1449473-97-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
42 43 0 0 0 0 0 0 0 0999 V2000
5.3656 -0.2249 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9443 0.1331 0.5689 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1836 -1.111...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 2
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: >30000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
3
logP
1.9816
Complexity
80.0805
TPSA (Ų)
97.79
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
2