Molecular Details
DICL_CP_0346105
- 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0346105
PubChem CID
Molecular Formula
C20H22N4O2 Molecular Weight
350.422 g/mol
Synonyms/Alias
[CHEMBL4740515; BDBM50548334]
InChI Key
OPYNHFDWDPTJTL-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N4O2/c1-2-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17(20(22)25)19(21)24(23-18)11-12-3-4-1...
IUPAC Name
5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide
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
48 51 0 0 0 0 0 0 0 0999 V2000
7.1610 1.4886 0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1456 0.8357 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4494 -0.410...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated inwardly rectifying potassium channel KCNH2
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 15700 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 specified
Temperature
Not mention
Test Method
Flux assay (Thallium ion)
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
26
Rotatable Bonds
6
logP
3.1931
Complexity
101.9923
TPSA (Ų)
96.16
H-Bond Donors
2
H-Bond Acceptors
5
Ring Count
4