Synonyms: | |
Status: | Phase 1 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | OWA98U788S |
InChI Key | OTKJDMGTUTTYMP-ROUUACIJSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H39NO2 |
Molecular Weight | 301.52 |
AlogP | 4.15 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 16.0 |
Polar Surface Area | 66.48 |
Molecular species | BASE |
Aromatic Rings | 0.0 |
Heavy Atoms | 21.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
|
- | - | - | 3000-5000 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Neoplasms | 1 | D009369 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 15639-50-6 |
ChEMBL | CHEMBL1442934 |
DrugBank | DB11924 |
EPA CompTox | DTXSID9045768 |
FDA SRS | OWA98U788S |
PubChem | 3058739 |
SureChEMBL | SCHEMBL6772 |
ZINC | ZINC000008214671 |