Molecular Details
DICL_CP_0311142
- butyl 4-aminobenzoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311142
PubChem CID
Molecular Formula
C11H15NO2 Molecular Weight
193.246 g/mol
Synonyms/Alias
[Butyl 4-aminobenzoate; butamben; 94-25-7; Butesin; Butyl aminobenzoate; Butylcaine; Butesine; Butoform; Planoform; Scuroform; Scuroforme; BUTYL P-AMINOBENZOATE; 4-(Butoxycarbonyl)aniline; Butyl kelof...
InChI Key
IUWVALYLNVXWKX-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
IUPAC Name
butyl 4-aminobenzoate
CAS Number
21245-02-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
14 14 0 0 0 0 0 0 0 0999 V2000
-6.4998 1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3658 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9485 0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 228000 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
tsA-201 Homo sapiens embryonic kidney cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Chronic Pain
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
4
logP
2.2257
Complexity
56.0449
TPSA (Ų)
52.32
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
1