Molecular Details
DICL_CP_0315309
- (2R)-2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)ethanol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315309
PubChem CID
Molecular Formula
C13H19N3O Molecular Weight
233.315 g/mol
Synonyms/Alias
[CHEMBL4468605; SCHEMBL15172686; BDBM50507850; PD191697]
InChI Key
GIXPJPITZZAVRK-VIFPVBQESA-N
InChI
InChI=1S/C13H19N3O/c1-13(2,3)8-4-5-10-11(6-8)16-12(15-10)9(14)7-17/h4-6,9,17H,7,14H2,1-3H3,(H,15,16)...
IUPAC Name
(2R)-2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)ethanol
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
36 37 0 0 0 0 0 0 0 0999 V2000
-3.3398 1.7494 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2531 0.2312 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9804 -0.035...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 10 subunit alpha
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 106 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.3
Holding Potential
0 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
HEK cell
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
unknown
Disease Information
Related Disease
treatment of pain
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
2
logP
1.8525
Complexity
68.8079
TPSA (Ų)
74.93
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
2