Molecular Details
DICL_CP_0354367
- 1-(4-carboxybenzyl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0354367
PubChem CID
N/A (Not available)
Molecular Formula
C18H12N2O7 Molecular Weight
368.301 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
ZVEMDEKAFUYETR-UHFFFAOYSA-N
InChI
InChI=1S/C18H12N2O7/c21-16-13-7-12(20(26)27)5-6-15(13)19(9-14(16)18(24)25)8-10-1-3-11(4-2-10)17(22)2...
IUPAC Name
1-(4-carboxybenzyl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-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
39 41 0 0 0 0 0 0 0 0999 V2000
6.0943 0.9424 -0.0579 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2531 0.2861 -0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5410 -0.036...
Experimental Data
Activity Data
Target Ion Channel
Pannexin-1
Uniprot Accession Number
Function
Blocker
Species
Mus musculus (Mouse)
IC50
IC50: 1500 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
−60 mV mV
Temperature
Not mention
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
27
Rotatable Bonds
5
logP
2.3544
Complexity
94.325
TPSA (Ų)
139.74
H-Bond Donors
2
H-Bond Acceptors
6
Ring Count
3