| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AB16 |
| UNII: | RPK779R03H |
Structure
| InChI Key | MNIPYSSQXLZQLJ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H13Cl2NO4 |
| Molecular Weight | 354.19 |
| AlogP | 3.91 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 75.63 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Secreted protein
|
- | - | 1200 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Arthritis, Rheumatoid | 4 | D001172 | ClinicalTrials |
| Pulpitis | 2 | D011671 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89796-99-6 |
| ChEBI | 31159 |
| ChEMBL | CHEMBL93645 |
| DrugBank | DB06736 |
| DrugCentral | 43 |
| EPA CompTox | DTXSID7045522 |
| FDA SRS | RPK779R03H |
| PharmGKB | PA166049185 |
| PubChem | 71771 |
| SureChEMBL | SCHEMBL25734 |
| ZINC | ZINC000003805798 |
CONTENTS