Molecular Details
DICL_CP_0337736
- N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0337736
PubChem CID
Molecular Formula
C16H23N7O Molecular Weight
329.408 g/mol
Synonyms/Alias
[CHEMBL4472955; BDBM50532016]
InChI Key
USEYTLZBTGKWTN-UHFFFAOYSA-N
InChI
InChI=1S/C16H23N7O/c1-11-9-14(23(19-11)13-5-3-2-4-6-13)17-15(24)10-22-20-16(18-21-22)12-7-8-12/h9,12...
IUPAC Name
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-cyclopropyltetrazol-2-yl)acetamide
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
24 27 0 0 0 0 0 0 0 0999 V2000
2.2940 -4.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3562 -3.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6053 -2...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 2
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 770 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 7.3
Holding Potential
Not specified
Temperature
37 °C
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
24
Rotatable Bonds
5
logP
2.1993
Complexity
87.5077
TPSA (Ų)
90.52
H-Bond Donors
1
H-Bond Acceptors
7
Ring Count
4