| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | HC3NX54582 |
| Parent Compound: | TRIENTINE |
Structure
| InChI Key | XPVOJYDIBHYVFL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H20Cl2N4 |
| Molecular Weight | 219.16 |
| AlogP | -1.92 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 76.1 |
| Molecular species | BASE |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| CHELATING AGENT | Copper chelating agent |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 16.7 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -27.87--5.59 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Macular Edema | 2 | D008269 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 9706 |
| ChEMBL | CHEMBL3989777 |
| EPA CompTox | DTXSID2057863 |
| FDA SRS | HC3NX54582 |
| KEGG | C07166 |
| PDB | 104 |
| PubChem | 71433 |
| SureChEMBL | SCHEMBL506189 |
| ZINC | ZINC19364225 |
CONTENTS