Molecular Details
DICL_CP_0315074
- N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315074
PubChem CID
Molecular Formula
C11H13N5O Molecular Weight
231.259 g/mol
Synonyms/Alias
[Clathrodin; 135383-64-1; N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide; NSC638206; CHEMBL465679; SCHEMBL13036741; BDBM50456973; AKOS040748152; NSC-638206; N-(3-(2-Imino-23-...
InChI Key
PJKFCZYTTBYEHL-HNQUOIGGSA-N
InChI
InChI=1S/C11H13N5O/c12-11-15-7-8(16-11)3-1-6-14-10(17)9-4-2-5-13-9/h1-5,7,13H,6H2,(H,14,17)(H3,12,15...
IUPAC Name
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-1H-pyrrole-2-carboxamide
CAS Number
34649-22-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 18 0 0 0 0 0 0 0 0999 V2000
6.4398 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5853 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1488 1...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >30000 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
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
4
logP
0.7632
Complexity
65.16
TPSA (Ų)
99.59
H-Bond Donors
4
H-Bond Acceptors
3
Ring Count
2