Molecular Details
DICL_CP_0313557
- (4-chlorophenyl)-phenylborinic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313557
PubChem CID
Molecular Formula
C12H10BClO Molecular Weight
216.476 g/mol
Synonyms/Alias
[CHEMBL2386184; BDBM50434538]
InChI Key
FQOCWSQTTSRMGJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H10BClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,15H
IUPAC Name
(4-chlorophenyl)-phenylborinic acid
CAS Number
873101-80-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
0.0384 0.8107 0.9693 B 0 0 0 0 0 0 0 0 0 0 0 0
-1.3863 0.3050 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5646 -0.987...
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: 12000 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 (cadmium 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
15
Rotatable Bonds
2
logP
1.438
Complexity
65.1348
TPSA (Ų)
20.23
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2