| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 41J7ZJ239R |
Structure
| InChI Key | KLRRGBHZCJLIEL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C30H27N5O |
| Molecular Weight | 473.58 |
| AlogP | 6.32 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 78.94 |
| Molecular species | BASE |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Smoothened homolog antagonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -7.66--3.15 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Leukemia | 2 | D007938 | ClinicalTrials |
| Small Cell Lung Carcinoma | 1 | D055752 | ClinicalTrials |
| Esophageal Neoplasms | 1 | D004938 | ClinicalTrials |
| Stomach Neoplasms | 1 | D013274 | ClinicalTrials |
| Carcinoma, Basal Cell | 1 | D002280 | ClinicalTrials |
| Basal Cell Nevus Syndrome | 1 | D001478 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3545403 |
| FDA SRS | 41J7ZJ239R |
| Guide to Pharmacology | 8202 |
| SureChEMBL | SCHEMBL4138073 |
| ZINC | ZINC000096170449 |
CONTENTS