| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | B6J7B9UDTR |
Structure
| InChI Key | DFYRUELUNQRZTB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.18 |
| AlogP | 1.6 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.53 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Asthma | 1 | D001249 | ClinicalTrials |
| Cardiovascular Diseases | 1 | D002318 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 1 | D029424 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 498-02-2 |
| ChEBI | 2781 |
| ChEMBL | CHEMBL346919 |
| DrugBank | DB12618 |
| EPA CompTox | DTXSID7060097 |
| FDA SRS | B6J7B9UDTR |
| KEGG | C11380 |
| PDB | I75 |
| PubChem | 2214 |
| SureChEMBL | SCHEMBL109514 |
| ZINC | ZINC000000162515 |
CONTENTS