| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | THY6RIW44R |
Structure
| InChI Key | YFIZRWPXUYFCSN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C33H33FO6 |
| Molecular Weight | 544.62 |
| AlogP | 8.05 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 85.22 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 40.0 |
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)
Lipid-like ligand receptor (family A GPCR)
Leukotriene receptor
|
- | 3 | - | 7-17 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL329123 |
| DrugBank | DB12850 |
| EPA CompTox | DTXSID70167073 |
| FDA SRS | THY6RIW44R |
| Guide to Pharmacology | 2948 |
| PubChem | 177941 |
| SureChEMBL | SCHEMBL1649516 |
| ZINC | ZINC000003930629 |
CONTENTS