| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | QY8BWX1LJ5 |
Structure
| InChI Key | SZBGQDXLNMELTB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H24F4N6O |
| Molecular Weight | 512.51 |
| AlogP | 4.93 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 67.15 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 37.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Frizzled family G protein-coupled receptor
Smoothened receptor (frizzled family GPCR)
|
- | 2 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Idiopathic Pulmonary Fibrosis | 2 | D054990 | ClinicalTrials |
| Small Cell Lung Carcinoma | 1 | D055752 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Neoplasm Metastasis | 1 | D009362 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1258861-20-9 |
| ChEMBL | CHEMBL2142592 |
| DrugBank | DB12550 |
| EPA CompTox | DTXSID50154986 |
| FDA SRS | QY8BWX1LJ5 |
| Guide to Pharmacology | 10333 |
| PDB | 1KS |
| PubChem | 49848070 |
| SureChEMBL | SCHEMBL2128615 |
| ZINC | ZINC000068247898 |
CONTENTS