| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | K0068GK39A |
Structure
| InChI Key | SFUWDBKYNKBXQU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H17NOS |
| Molecular Weight | 355.46 |
| AlogP | 6.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 32.59 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | PI3-kinase class I inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Enzyme
Kinase
Protein Kinase
Atypical protein kinase group
Atypical protein kinase PIKK family
Atypical protein kinase FRAP subfamily
|
- | 350-370 | - | - | - | |
|
Enzyme
Transferase
|
10-10 | 5-111 | - | - | 6.614-7.52 | |
|
Enzyme
|
10-10 | 5-111 | - | - | 6.614-7.52 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -7.93-29.09 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC02 family of hexose and sugar alcohol transporters
|
- | - | - | - | 2.11 | |
|
Transporter
|
- | - | - | - | 2.11 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL586701 |
| FDA SRS | K0068GK39A |
| PubChem | 11647372 |
CONTENTS