Molecular Details
DICL_CP_0448857
- N,N-bis(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;dihydrochloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0448857
PubChem CID
Molecular Formula
C33H42Cl2N4 Molecular Weight
565.633 g/mol
Synonyms/Alias
[bis(7)-Tacrine; 224445-12-9; Bis(7)-tacrine (dihydrochloride); Tacrine-Based Inhibitor 2f; N;N-bis(1;2;3;4-tetrahydroacridin-9-yl)heptane-1;7-diamine;dihydrochloride; N;N/-bis(1;2;3;4-tetrahydroacrid...
InChI Key
RHKXINFBJWDTSK-UHFFFAOYSA-N
InChI
InChI=1S/C33H40N4.2ClH/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26...
IUPAC Name
N,N-bis(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;dihydrochloride
CAS Number
224445-12-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
39 42 0 0 0 0 0 0 0 0999 V2000
-5.1962 -3.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4952 -4.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7942 -3...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily D member 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 530 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
−50 to 110 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
39
Rotatable Bonds
10
logP
8.8587
Complexity
171.3304
TPSA (Ų)
49.84
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
6