Molecular Details
DICL_CP_0322173
- (2-iodo-5-methoxyphenyl)boronic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322173
PubChem CID
Molecular Formula
C7H8BIO3 Molecular Weight
277.854 g/mol
Synonyms/Alias
[(2-iodo-5-methoxyphenyl)boronic acid; 89694-50-8; 2-Iodo-5-methoxyphenylboronic acid; MFCD26793796; MIBA; 5-Methoxy-2-iodophenylboronic acid; SCHEMBL9935773; MIBA; 96%; AMY1058; XQYAEIDOJUNIGY-UHFFFA...
InChI Key
XQYAEIDOJUNIGY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BIO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
IUPAC Name
(2-iodo-5-methoxyphenyl)boronic acid
CAS Number
89694-50-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
12 12 0 0 0 0 0 0 0 0999 V2000
-1.8548 -1.2043 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
-0.7303 -0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0278 1...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >50000 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
−40 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
HL-1 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
2
logP
-0.0204
Complexity
55.5366
TPSA (Ų)
49.69
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1