| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 187EJ7QEXL |
Structure
| InChI Key | AKJHMTWEGVYYSE-FXILSDISSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H33NO2 |
| Molecular Weight | 391.56 |
| AlogP | 6.86 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 49.33 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 18700 | - | - | 20-21 | |
|
Secreted protein
|
2372 | - | 156 | - | - | |
|
Unclassified protein
|
- | - | 6900-6900 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Uterine Cervical Neoplasms | 3 | D002583 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Psychotic Disorders | 3 | D011618 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Lymphoma, T-Cell, Peripheral | 2 | D016411 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Neuroblastoma | 2 | D009447 | ClinicalTrials |
| Gliosarcoma | 2 | D018316 | ClinicalTrials |
| Melanoma | 2 | D008545 | ClinicalTrials |
| Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
| Central Nervous System Neoplasms | 2 | D016543 | ClinicalTrials |
| Kidney Neoplasms | 2 | D007680 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Lung Neoplasms | 2 | D008175 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
| Leukemia | 1 | D007938 | ClinicalTrials |
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
| Cystic Fibrosis | 1 | D003550 | ClinicalTrials |
| Myeloproliferative Disorders | 1 | D009196 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 1 | D054198 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 65646-68-6 |
| ChEBI | 42588 |
| ChEMBL | CHEMBL7301 |
| DrugBank | DB05076 |
| EPA CompTox | DTXSID2032005 |
| FDA SRS | 187EJ7QEXL |
| PDB | FEN |
| PubChem | 5288209 |
| SureChEMBL | SCHEMBL11703 |
| ZINC | ZINC000003871023 |
CONTENTS