Molecular Details
DICL_CP_0312785
- bis(4-methylphenyl)borinic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312785
PubChem CID
Molecular Formula
C14H15BO Molecular Weight
210.085 g/mol
Synonyms/Alias
[Hydroxydip-tolylborane; 66117-64-4; Hydroxydi-p-tolylborane; bis(4-methylphenyl)borinic acid; BIS(4-TOLYL)BORONIC ACID; CHEMBL2386008; Borinic acid; bis(4-methylphenyl)-; di-p-tolylborinic acid; bis(...
InChI Key
ZJHMSSYDWCPSFN-UHFFFAOYSA-N
InChI
InChI=1S/C14H15BO/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3
IUPAC Name
bis(4-methylphenyl)borinic acid
CAS Number
872044-70-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 32 0 0 0 0 0 0 0 0999 V2000
-0.0609 1.5316 -0.1685 B 0 0 0 0 0 0 0 0 0 0 0 0
-1.4164 0.7232 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4898 -0.626...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 6
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 18600 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 specified
Temperature
37 °C
Test Method
Influx assay (Calcium ion)
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
2
logP
1.4014
Complexity
69.5988
TPSA (Ų)
20.23
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2