Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 6Z3QHB00LB |
InChI Key | ADGGYDAFIHSYFI-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H20F3N7O2 |
Molecular Weight | 411.39 |
AlogP | 1.21 |
Hydrogen Bond Acceptor | 9.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 102.52 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 29.0 |
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
|
- | 89-205 | 12 | 62-62 | - | |
Enzyme
Kinase
Protein Kinase
Atypical protein kinase group
Atypical protein kinase PIKK family
|
- | 89-205 | 12 | 62-62 | - | |
Enzyme
Transferase
|
- | 33-136 | 11 | 17-17 | - | |
Enzyme
|
- | 33-136 | 11 | 62-62 | - | |
Other cytosolic protein
|
- | 139 | - | - | - | |
Unclassified protein
|
- | 139 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Glioblastoma | 2 | D005909 | ClinicalTrials |
Lymphoma | 2 | D008223 | ClinicalTrials |
Lymphoma, Non-Hodgkin | 2 | D008228 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Breast Neoplasms | 1 | D001943 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 1225037-39-7 |
ChEMBL | CHEMBL4084907 |
DrugBank | DB14846 |
FDA SRS | 6Z3QHB00LB |
Guide to Pharmacology | 8383 |
PDB | A3W |
PubChem | 58507717 |
SureChEMBL | SCHEMBL1309049 |
ZINC | ZINC000068203488 |