Molecular Details
DICL_CP_0421844
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0421844
PubChem CID
N/A (Not available)
Molecular Formula
C12H8AuCl3N2 Molecular Weight
483.536 g/mol
Synonyms/Alias
Audien
InChI Key
N/A (Not available)
InChI
N/A (Not available)
IUPAC Name
N/A (Not available)
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 26 28 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl -0.766922 2.346611 3.004615 0
M V30 2 Au -0.651685 2.581562 0.586303 0 CHG=1 VAL=4
M...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 800 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
Not specified
Temperature
23 °C
Test Method
Stopped-flow light scattering
Test Species
PC12 cell
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
0
logP
1.1635
Complexity
68.75
TPSA (Ų)
11.8
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
3