| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | Y1NA96IX3T |
Structure
| InChI Key | DFQGDHBGRSTTHX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C38H43N3O4S |
| Molecular Weight | 637.85 |
| AlogP | 8.98 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 86.47 |
| Molecular species | ACID |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 46.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | 36000 | - | - | - | |
|
Enzyme
Oxidoreductase
|
- | 20000 | - | - | - | |
|
Other cytosolic protein
|
- | 1-506 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Asthma | 2 | D001249 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1922660 |
| DrugBank | DB06346 |
| EPA CompTox | DTXSID20239496 |
| FDA SRS | Y1NA96IX3T |
| PubChem | 44473151 |
| SureChEMBL | SCHEMBL11820 |
| ZINC | ZINC000068247071 |
CONTENTS