Molecular Details
DICL_CP_0312145
- 8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312145
PubChem CID
Molecular Formula
C10H7NO4 Molecular Weight
205.169 g/mol
Synonyms/Alias
[xanthurenic acid; 59-00-7; 4;8-Dihydroxyquinoline-2-carboxylic acid; Xanthuric acid; 8-Hydroxykynurenic acid; Xanthurenate; 4;8-Dihydroxyquinaldic acid; 4;8-Dihydroxyquinaldinic acid; 8-hydroxy-4-oxo...
InChI Key
FBZONXHGGPHHIY-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
IUPAC Name
8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CAS Number
59-00-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 23 0 0 0 0 0 0 0 0999 V2000
-3.0231 -0.9338 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8854 -1.7411 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6038 -1.160...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 1000 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
37 °C
Test Method
Spheroid Spreading Assay
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
1
logP
0.9319
Complexity
53.1928
TPSA (Ų)
90.39
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
2