Molecular Details
DICL_CP_0313979
- anthracene-9-carboxylate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313979
PubChem CID
Molecular Formula
C15H9O2- Molecular Weight
221.235 g/mol
Synonyms/Alias
[9-anthracenecarboxylate; anthracene-9-carboxylate; A837506]
InChI Key
XGWFJBFNAQHLEF-UHFFFAOYSA-M
InChI
InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)/p-1
IUPAC Name
anthracene-9-carboxylate
CAS Number
723-62-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 28 0 0 0 0 0 0 0 0999 V2000
-3.6209 -1.0776 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6726 0.3145 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4942 1.063...
Experimental Data
Activity Data
Target Ion Channel
skeletal muscle chloride channel (ClC-1)
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 7200 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 7.5
Holding Potential
−120 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Sf9 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
1
logP
2.3565
Complexity
65.7845
TPSA (Ų)
40.13
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
3