| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 5S371K6132 |
| InChI Key | WPEWQEMJFLWMLV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C24H23N5O |
| Molecular Weight | 397.48 |
| AlogP | 4.68 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 90.7 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 30.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
TKL protein kinase group
TKL protein kinase MLK family
TKL protein kinase MLK subfamily
|
- | - | 4760 | - | - | |
|
Enzyme
Kinase
Protein Kinase
TKL protein kinase group
|
- | - | 2373 | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Ret family
|
- | - | 111 | - | - | |
|
Enzyme
Transferase
|
- | - | - | - | 10.34 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 5.26-51.38 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
| Thyroid Neoplasms | 3 | D013964 | ClinicalTrials |
| Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
| Carcinoma, Hepatocellular | 3 | D006528 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
| Small Cell Lung Carcinoma | 3 | D055752 | ClinicalTrials |
| Esophageal Neoplasms | 3 | D004938 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Ovarian Neoplasms | 3 | D010051 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Thyroid Neoplasms | 3 | D013964 | ClinicalTrials |
| Ovarian Neoplasms | 3 | D010051 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Melanoma | 3 | D008545 | ClinicalTrials |
| Adenocarcinoma | 3 | D000230 | ClinicalTrials |
| Nasopharyngeal Carcinoma | 3 | D000077274 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Triple Negative Breast Neoplasms | 2 | D064726 | ClinicalTrials |
| Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
| Neoplasm Metastasis | 2 | D009362 | ClinicalTrials |
| Esthesioneuroblastoma, Olfactory | 2 | D018304 | ClinicalTrials |
| Paraganglioma | 2 | D010235 | ClinicalTrials |
| Gallbladder Neoplasms | 2 | D005706 | ClinicalTrials |
| Cholangiocarcinoma | 2 | D018281 | ClinicalTrials |
| Sarcoma | 2 | D012509 | ClinicalTrials |
| Ascites | 2 | D001201 | ClinicalTrials |
| Carcinoma, Neuroendocrine | 2 | D018278 | ClinicalTrials |
| Digestive System Neoplasms | 2 | D004067 | ClinicalTrials |
| Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials |
| Biliary Tract Neoplasms | 2 | D001661 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Carcinoma, Adenoid Cystic | 2 | D003528 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Gastrointestinal Stromal Tumors | 2 | D046152 | ClinicalTrials |
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
| Squamous Cell Carcinoma of Head and Neck | 2 | D000077195 | ClinicalTrials |
| Carcinoma | 2 | D002277 | ClinicalTrials |
| Adenocarcinoma of Lung | 2 | D000077192 | ClinicalTrials |
| Neuroblastoma | 2 | D009447 | ClinicalTrials |
| Osteosarcoma | 2 | D012516 | ClinicalTrials |
| Carcinoma, Renal Cell | 2 | D002292 | ClinicalTrials |
| Sarcoma | 2 | D012509 | ClinicalTrials |
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
| Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials |
| Lung Neoplasms | 2 | D008175 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Medulloblastoma | 2 | D008527 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Biliary Tract Neoplasms | 2 | D001661 | ClinicalTrials |
| Nasopharyngeal Neoplasms | 2 | D009303 | ClinicalTrials |
| Head and Neck Neoplasms | 2 | D006258 | ClinicalTrials |
| Cholangiocarcinoma | 2 | D018281 | ClinicalTrials |
| Gestational Trophoblastic Disease | 2 | D031901 | ClinicalTrials |
| Colonic Neoplasms | 2 | D003110 | ClinicalTrials |
| Glioma | 2 | D005910 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Lung Neoplasms | 2 | D008175 | ClinicalTrials |
| Mouth Neoplasms | 1 | D009062 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Lymphoma, T-Cell, Peripheral | 1 | D016411 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3186534 |
| DrugBank | DB14765 |
| DrugCentral | 5211 |
| FDA SRS | 5S371K6132 |
| SureChEMBL | SCHEMBL1814966 |
| ZINC | ZINC000070466461 |