| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 3UL4QIY642 |
Structure
| InChI Key | NDTYTMIUWGWIMO-SNVBAGLBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H16O |
| Molecular Weight | 152.24 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 84 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Keratosis, Actinic | 2 | D055623 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Glioblastoma | 1 | D005909 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18457-55-1 |
| ChEBI | 10782 |
| ChEMBL | CHEMBL236687 |
| DrugBank | DB15289 |
| FDA SRS | 3UL4QIY642 |
| KEGG | C02452 |
| PubChem | 10819 |
| SureChEMBL | SCHEMBL569985 |
| ZINC | ZINC000003861538 |
CONTENTS