| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | J4RA8K2Q2A |
Structure
| InChI Key | UUROSJLZNDSXRF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C30H38ClN3O7S |
| Molecular Weight | 620.17 |
| AlogP | 4.05 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 123.27 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 41.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | MAP kinase p38 alpha inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
|
- | 770 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pemphigus | 2 | D010392 | ClinicalTrials |
| Hepatitis C | 1 | D006526 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3402567 |
| FDA SRS | J4RA8K2Q2A |
| PubChem | 11786594 |
| SureChEMBL | SCHEMBL1598868 |
| ChEMBL | CHEMBL1208829 |
| EPA CompTox | DTXSID00233876 |
| FDA SRS | J4RA8K2Q2A |
| PubChem | 11786594 |
| SureChEMBL | SCHEMBL1598868 |
| ZINC | ZINC000058540931 |
CONTENTS