| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | FC6D57000M |
Structure
| InChI Key | FBQPGGIHOFZRGH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H24N2OS |
| Molecular Weight | 340.49 |
| AlogP | 4.48 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 32.34 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | 5000-5000 | 89 | - | - |
Indications
| Mesh Heading | Maximum Phase | Reference |
|---|---|---|
| Brain Neoplasms; Carcinoma, Non-Small-Cell Lung; Lung Neoplasms; Neoplasm Metastasis; Neoplasms, Second Primary | Phase 2 | ClinicalTrials |
| Glioblastoma | Phase 2 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 479-50-5 |
| ChEBI | 51052 |
| ChEMBL | CHEMBL279014 |
| DrugBank | DB04967 |
| DrugCentral | 1616 |
| EPA CompTox | DTXSID6023230 |
| FDA SRS | FC6D57000M |
| Human Metabolome Database | HMDB0015607 |
| KEGG | C11715 |
| PharmGKB | PA164748783 |
| PubChem | 10180 |
| SureChEMBL | SCHEMBL9156 |
| ZINC | ZINC000003831012 |
CONTENTS