| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | OJY3SK9H5F |
Structure
| InChI Key | YLFZHHDVRSYTKT-NRFANRHFSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C27H27F2NO6 |
| Molecular Weight | 499.51 |
| AlogP | 4.61 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 94.09 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Integrin alpha-4/beta-1 antagonist | PubMed |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
| Multiple Sclerosis, Relapsing-Remitting | 1 | D020529 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 402567-16-2 |
| ChEMBL | CHEMBL2104967 |
| DrugBank | DB12732 |
| EPA CompTox | DTXSID00433031 |
| FDA SRS | OJY3SK9H5F |
| PubChem | 9935681 |
| SureChEMBL | SCHEMBL918399 |
| ZINC | ZINC000030691369 |
CONTENTS