| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2014) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01EM01 |
| UNII: | YG57I8T5M0 |
Structure
| InChI Key | IFSDAJWBUCMOAH-HNNXBMFYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H18FN7O |
| Molecular Weight | 415.43 |
| AlogP | 3.75 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 101.38 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | PI3-kinase p110-delta subunit inhibitor | FDA |
| Primary Target | |
|---|---|
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
Atypical protein kinase group
Atypical protein kinase PIKK family
|
- | 6700-6700 | - | - | - | |
|
Enzyme
Transferase
|
- | 1-831 | - | - | 92-96 | |
|
Enzyme
|
- | 1-831 | - | - | 92-96 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Lymphoma, Follicular | 3 | D008224 | ClinicalTrials |
| Waldenstrom Macroglobulinemia | 2 | D008258 | ClinicalTrials |
| Hodgkin Disease | 2 | D006689 | ClinicalTrials |
| Lymphoma, Mantle-Cell | 2 | D020522 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 2 | D016403 | ClinicalTrials |
| Amyloidosis | 2 | D000686 | ClinicalTrials |
| Waldenstrom Macroglobulinemia | 2 | D008258 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 1 | D054198 | ClinicalTrials |
| Rhinitis, Allergic, Seasonal | 1 | D006255 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
| Primary Myelofibrosis | 1 | D055728 | ClinicalTrials |
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
| Carcinoma, Pancreatic Ductal | 1 | D021441 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 870281-82-6 |
| ChEBI | 82701 |
| ChEMBL | CHEMBL2216870 |
| DrugBank | DB09054 |
| DrugCentral | 4878 |
| FDA SRS | YG57I8T5M0 |
| Guide to Pharmacology | 6741 |
| PDB | 40L |
| PubChem | 11625818 |
| SureChEMBL | SCHEMBL356400 |
| ZINC | ZINC000013986658 |
CONTENTS