Molecular Details
DICL_CP_0322605
- N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-chloro-5-methyl-1H-pyrrole-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322605
PubChem CID
Molecular Formula
C12H14ClN5O Molecular Weight
279.731 g/mol
Synonyms/Alias
[CHEMBL4202870; BDBM50456969]
InChI Key
LCCRCPRIAOYATR-NSCUHMNNSA-N
InChI
InChI=1S/C12H14ClN5O/c1-7-9(13)5-10(17-7)11(19)15-4-2-3-8-6-16-12(14)18-8/h2-3,5-6,17H,4H2,1H3,(H,15...
IUPAC Name
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-chloro-5-methyl-1H-pyrrole-2-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
19 20 0 0 0 0 0 0 0 0999 V2000
7.2182 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7235 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 1...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 6
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >10000 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
−80 to 30 mV mV
Temperature
18–22 °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
19
Rotatable Bonds
4
logP
1.725
Complexity
74.907
TPSA (Ų)
99.59
H-Bond Donors
4
H-Bond Acceptors
3
Ring Count
2