Molecular Details
DICL_CP_0355661
- 13,17-diaza-1,5-diazoniapentacyclo[16.6.2.25,12.06,11.019,24]octacosa-1(25),5(28),6,8,10,12(27),18(26),19,21,23-decaene
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0355661
PubChem CID
Molecular Formula
C24H26N4+2 Molecular Weight
370.5 g/mol
Synonyms/Alias
[CHEMBL185006; BDBM50474860]
InChI Key
MOSIZFCDSISEBV-UHFFFAOYSA-P
InChI
InChI=1S/C24H24N4/c1-3-9-23-19(7-1)21-11-17-27(23)15-6-16-28-18-12-22(26-14-5-13-25-21)20-8-2-4-10-2...
IUPAC Name
13,17-diaza-1,5-diazoniapentacyclo[16.6.2.25,12.06,11.019,24]octacosa-1(25),5(28),6,8,10,12(27),18(26),19,21,23-decaene
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
54 58 0 0 0 0 0 0 0 0999 V2000
-0.3103 -3.2673 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3995 -3.2551 0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5469 -2.456...
Experimental Data
Activity Data
Target Ion Channel
Small conductance Calcium activated potassium channel protein 1/2/3
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 630 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 mention mV
Temperature
30–31 °C
Test Method
Patch-clamping
Test Species
Rattus norvegicus sympathetic neuron
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
28
Rotatable Bonds
0
logP
3.8858
Complexity
114.4994
TPSA (Ų)
31.82
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
5