Synonyms: | |
Status: | Phase 1 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | H030S2S85J |
InChI Key | HCZHHEIFKROPDY-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C10H7NO3 |
Molecular Weight | 189.17 |
AlogP | 1.23 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 1.0 |
Polar Surface Area | 70.16 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 14.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
- | 13800-75000 | - | 5400-5400 | - | |
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor alpha subunit
|
- | 7000 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Carboxylic acid receptor
Kynurenic acid receptor
|
39200 | 39000 | - | - | - | |
Transcription factor
|
300 | - | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 107 |
Resources | Reference |
---|---|
ChEBI | 18344 |
ChEMBL | CHEMBL299155 |
DrugBank | DB11937 |
EPA CompTox | DTXSID8075417 |
FDA SRS | H030S2S85J |
Human Metabolome Database | HMDB0000715 |
Guide to Pharmacology | 2918 |
KEGG | C01717 |
PDB | KYA |
SureChEMBL | SCHEMBL22979 |
ZINC | ZINC000008584773 |