| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | KZ3DLD11RQ |
Structure
| InChI Key | QDCJDYWGYVPBDO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C27H21NO5S |
| Molecular Weight | 471.53 |
| AlogP | 5.88 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 95.86 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transcription factor
|
- | 4000-8300 | 4.7-250 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Idiopathic Pulmonary Fibrosis | 2 | D054990 | ClinicalTrials |
| Carcinoma, Hepatocellular | 1 | D006528 | ClinicalTrials |
| Breast Neoplasms | 1 | D001943 | ClinicalTrials |
| Carcinoma, Squamous Cell | 1 | D002294 | ClinicalTrials |
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3392776 |
| FDA SRS | KZ3DLD11RQ |
| PubChem | 1324494 |
| SureChEMBL | SCHEMBL16394007 |
| ZINC | ZINC000001154831 |
CONTENTS