| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M05BA02 |
| UNII: | 0813BZ6866 |
Structure
| InChI Key | ACSIXWWBWUQEHA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | CH4Cl2O6P2 |
| Molecular Weight | 244.89 |
| AlogP | 0.43 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 115.06 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | 3 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 6 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Brachial Plexus Neuropathies | 3 | D020516 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10596-23-3 |
| ChEBI | 110423 |
| ChEMBL | CHEMBL12318 |
| DrugBank | DB00720 |
| DrugCentral | 690 |
| EPA CompTox | DTXSID8046959 |
| FDA SRS | 0813BZ6866 |
| Human Metabolome Database | HMDB0014858 |
| Guide to Pharmacology | 9605 |
| PharmGKB | PA10239 |
| PubChem | 25419 |
| SureChEMBL | SCHEMBL18982 |
| ZINC | ZINC000029747100 |
CONTENTS