Molecular Details
DICL_CP_0309879
- 4,7-phenanthroline
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309879
PubChem CID
Molecular Formula
C12H8N2 Molecular Weight
180.21 g/mol
Synonyms/Alias
[4;7-Phenanthroline; 230-07-9; [4;7]phenanthroline; WQM4R8KEX6; MLS000738107; CHEBI:36419; MFCD00004987; NSC-35680; p-Phenanthrolin; NSC35680; NSC 35680; 1;8-diazaphenanthrene; P-PHENANTHROLINE; UNII-...
InChI Key
DATYUTWESAKQQM-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1-8H
IUPAC Name
4,7-phenanthroline
CAS Number
230-07-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 24 0 0 0 0 0 0 0 0999 V2000
2.7419 -1.5872 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3479 -1.5226 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 -0.274...
Experimental Data
Activity Data
Target Ion Channel
Cystic fibrosis transmembrane conductance regulator (Chloride channel)
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 201000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
0
logP
2.783
Complexity
57.044
TPSA (Ų)
25.78
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
3