Molecular Details
DICL_CP_0320091
- cyano(triphenyl)boranuide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320091
PubChem CID
Molecular Formula
C19H15BN- Molecular Weight
268.148 g/mol
Synonyms/Alias
[Cyanotriphenylborate; cyano(triphenyl)boranuide; cyanotriphenylboranuide; cyano-tri(phenyl)boron; cyanotriphenylborate(1-); GTPL2368; SCHEMBL2769206; CHEBI:38895; DTXSID401292169; Sodium(cyano-c)trip...
InChI Key
HYJITQQQMJSBOL-UHFFFAOYSA-N
InChI
InChI=1S/C19H15BN/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H/q-1
IUPAC Name
cyano(triphenyl)boranuide
CAS Number
47107-21-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
36 38 0 0 0 0 0 0 0 0999 V2000
-0.0063 -0.0314 0.8349 B 0 0 0 0 0 4 0 0 0 0 0 0
-0.0179 -0.0903 2.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0266 -0.133...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor chloride channel αH2
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: >>20000 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
−90 to 70 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
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
21
Rotatable Bonds
3
logP
2.2196
Complexity
89.595
TPSA (Ų)
23.79
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
3