| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1958) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M03BB03 |
| UNII: | H0DE420U8G |
Structure
| InChI Key | TZFWDZFKRBELIQ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4ClNO2 |
| Molecular Weight | 169.57 |
| AlogP | 1.77 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 46.0 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Enzyme
|
- | 14100 | - | - | ||
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | -1-104 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 7 |
Indications
| Mesh Heading | Maximum Phase | Reference |
|---|---|---|
| Pain, Postoperative | Phase 4 | ClinicalTrials |
| Osteoarthritis; Osteoarthritis, Hip; Osteoarthritis, Knee | Phase 4 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 95-25-0 |
| ChEBI | 3655 |
| ChEMBL | CHEMBL1371 |
| DrugBank | DB00356 |
| DrugCentral | 626 |
| EPA CompTox | DTXSID9022813 |
| FDA SRS | H0DE420U8G |
| Human Metabolome Database | HMDB0014500 |
| Guide to Pharmacology | 2322 |
| KEGG | C07931 |
| PDB | CLW |
| PharmGKB | PA448971 |
| PubChem | 2733 |
| SureChEMBL | SCHEMBL35177 |
| ZINC | ZINC000084843283 |
CONTENTS