| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | Q2WXR1I0PK |
| Parent Compound: | CROMOLYN |
Structure
| InChI Key | VLARUOGDXDTHEH-UHFFFAOYSA-L |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H14Na2O11 |
| Molecular Weight | 512.33 |
| AlogP | 2.11 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 173.71 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Carboxylic acid receptor
Kynurenic acid receptor
|
1260 | - | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 101 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Rosacea | 1 | D012393 | ClinicalTrials |
| Prostatitis | 0 | D011472 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 128458 |
| ChEMBL | CHEMBL74 |
| EPA CompTox | DTXSID7044554 |
| FDA SRS | Q2WXR1I0PK |
| KEGG | D00526 |
| PubChem | 27503 |
| SureChEMBL | SCHEMBL7500 |
| ZINC | ZINC01530788 |
CONTENTS