Molecular Details
DICL_CP_0358189
- (Z)-((1,2-diaminovinyl)amino)gold(IV) chloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0358189
PubChem CID
N/A (Not available)
Molecular Formula
C2H6AuCl3N3 Molecular Weight
375.417 g/mol
Synonyms/Alias
Audien
InChI Key
GWXCNUBWIAJUBS-MBCFVHIPSA-K
InChI
InChI=1S/C2H6N3.Au.3ClH/c3-1-2(4)5;;;;/h1,4H,3,5H2;;3*1H/q-1;+4;;;/p-3/b2-1+;;;;
IUPAC Name
(Z)-((1,2-diaminovinyl)amino)gold(IV) chloride
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
9 6 0 0 0 0 0 0 0 0999 V2000
2.6543 1.1251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0936 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 -0...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-3
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
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
9
Rotatable Bonds
2
logP
-6.5484
Complexity
25.4465
TPSA (Ų)
64.07
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0