Molecular Details
DICL_CP_0313871
- 2-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313871
PubChem CID
Molecular Formula
C11H10NO4- Molecular Weight
220.204 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
KXETVEDTUWAYHA-FAYXRDSDSA-M
InChI
InChI=1S/C11H11NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h1-2,5-6,8-9H,3-4H2,(H,13,14)/p-1/...
IUPAC Name
2-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
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
16 18 0 0 0 0 0 0 0 0999 V2000
-5.0216 -0.1636 0.0000 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.5603 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1229 1...
Experimental Data
Activity Data
Target Ion Channel
Calcium release-activated calcium channel protein 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >200 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
Room Temperature
Test Method
in vitro assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US11905244
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
2
logP
-1.4566
Complexity
49.444
TPSA (Ų)
77.51
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3