Molecular Details
DICL_CP_0312459
- 11-hydroxy-5,6-dihydrobenzo[b][1]benzoborepine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312459
PubChem CID
Molecular Formula
C14H13BO Molecular Weight
208.069 g/mol
Synonyms/Alias
[CHEMBL2386176; NSC404896; BDBM50434545; NSC-404896]
InChI Key
WODZOHCGHOLWOJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H13BO/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,16H,9-10H2
IUPAC Name
11-hydroxy-5,6-dihydrobenzo[b][1]benzoborepine
CAS Number
6962-85-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
29 31 0 0 0 0 0 0 0 0999 V2000
0.0869 1.3686 0.2843 B 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 0.5999 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6516 1.287...
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: >500000 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
16
Rotatable Bonds
0
logP
0.8832
Complexity
67.5328
TPSA (Ų)
20.23
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
3