| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01XD06 |
| UNII: | J81E81G364 |
Structure
| InChI Key | BNFRJXLZYUTIII-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.41 |
| AlogP | 3.73 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 75.63 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Pharmacology
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Lung Neoplasms | 3 | D008175 | ClinicalTrials |
| Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 131179-95-8 |
| ChEMBL | CHEMBL18901 |
| DrugBank | DB08486 |
| DrugCentral | 4465 |
| EPA CompTox | DTXSID40156934 |
| FDA SRS | J81E81G364 |
| PDB | RQ3 |
| PubChem | 122335 |
| SureChEMBL | SCHEMBL1649963 |
| ZINC | ZINC000001481819 |
CONTENTS