Molecular Details
DICL_CP_0361070
- cis-(1S,3R)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0361070
PubChem CID
Molecular Formula
C21H20N2O3S Molecular Weight
380.469 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
OUAZWUKQRHZQNC-CABCVRRESA-N
InChI
InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(...
IUPAC Name
cis-(1S,3R)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
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
47 50 0 0 0 0 0 0 0 0999 V2000
9.4307 1.3015 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0809 0.6572 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9676 -0.684...
Experimental Data
Activity Data
Target Ion Channel
Potassium channel subfamily K member 4
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 15290 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−60 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK-293T cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
27
Rotatable Bonds
4
logP
4.7111
Complexity
106.8895
TPSA (Ų)
79.29
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
4