| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 9ENT43KY91 |
Structure
| InChI Key | JXONINOYTKKXQQ-CQSZACIVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H17BrN4O3 |
| Molecular Weight | 417.26 |
| AlogP | 2.85 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 129.54 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Tubulin inhibitor | PubMed |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Thyroid Neoplasms | 1 | D013964 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1000852-17-4 |
| ChEMBL | CHEMBL2103852 |
| DrugBank | DB12925 |
| EPA CompTox | DTXSID10142925 |
| FDA SRS | 9ENT43KY91 |
| PDB | BG0 |
| PubChem | 23649181 |
| SureChEMBL | SCHEMBL1750575 |
| ZINC | ZINC000038153934 |
CONTENTS