| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | FII75TFH5L |
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16N8O |
| Molecular Weight | 336.36 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 112.58 |
| Molecular species | None |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA-dependent protein kinase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
Atypical protein kinase group
Atypical protein kinase PIKK family
Atypical protein kinase FRAP subfamily
|
- | 21-21 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
Atypical protein kinase group
Atypical protein kinase PIKK family
|
- | 13-15 | - | - | 50 | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase PDGFR family
|
- | 2000 | - | - | 57 | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3A
|
- | 630 | - | - | - | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3B
|
- | 630 | - | - | - | |
|
Enzyme
Transferase
|
- | 850 | - | - | 5.867 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -10.04-0.29 | |
|
Unclassified protein
|
- | 23 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
| Carcinoma, Squamous Cell | 1 | D002294 | ClinicalTrials |
| Glioblastoma | 1 | D005909 | ClinicalTrials |
| Osteosarcoma | 1 | D012516 | ClinicalTrials |
| Neoplasm Metastasis | 1 | D009362 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 1 | D064129 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1228013-15-7 |
| ChEMBL | CHEMBL3545426 |
| FDA SRS | FII75TFH5L |
| PubChem | 58298318 |
CONTENTS