| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 9A54BAZ0YA |
Structure
| InChI Key | QCYAXXZCQKMTMO-QFIPXVFZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C28H29BrN4O3 |
| Molecular Weight | 549.47 |
| AlogP | 5.58 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 93.21 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 36.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4297363 |
| EPA CompTox | DTXSID30196546 |
| FDA SRS | 9A54BAZ0YA |
| PubChem | 23394557 |
| SureChEMBL | SCHEMBL3833843 |
| ZINC | ZINC000100454833 |
CONTENTS