| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2016) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | S01XA25 |
| UNII: | 038E5L962W |
Structure
| InChI Key | JFOZKMSJYSPYLN-QHCPKHFHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C29H24Cl2N2O7S |
| Molecular Weight | 615.49 |
| AlogP | 4.77 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 133.99 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 41.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Integrin alpha-L/beta-2 (LFA-1) antagonist | PubMed |
| Primary Target | |
|---|---|
| integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide) |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Adhesion
|
- | 9-74 | - | - | - | |
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C9
|
- | 3000 | - | - | - | |
|
Membrane receptor
|
- | 9-74 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Dry Eye Syndromes | 4 | D015352 | FDA |
| Conjunctivitis, Allergic | 2 | D003233 | ClinicalTrials |
| Graft vs Host Disease | 0 | D006086 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1025967-78-5 |
| ChEBI | 133023 |
| ChEMBL | CHEMBL2048028 |
| DrugBank | DB11611 |
| DrugCentral | 5174 |
| EPA CompTox | DTXSID60145345 |
| FDA SRS | 038E5L962W |
| Guide to Pharmacology | 7533 |
| PubChem | 11965427 |
| SureChEMBL | SCHEMBL2632068 |
| ZINC | ZINC000084668739 |
CONTENTS