| Synonyms: | |
| Status: | Approved (1994) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 35MRW7B4AD |
Structure
| InChI Key | PDWUPXJEEYOOTR-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10IN3 |
| Molecular Weight | 275.09 |
| AlogP | 1.27 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 61.9 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 0.6-13.67 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Failure | 3 | D006333 | ClinicalTrials |
| Neuroblastoma | 2 | D009447 | ClinicalTrials |
| Pheochromocytoma | 2 | D010673 | ClinicalTrials |
| Paraganglioma | 2 | D010235 | ClinicalTrials |
| Neuroendocrine Tumors | 1 | D018358 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 92769 |
| ChEMBL | CHEMBL818 |
| DrugBank | DB06704 |
| EPA CompTox | DTXSID4048438 |
| FDA SRS | 35MRW7B4AD |
| PubChem | 60860 |
| SureChEMBL | SCHEMBL140591 |
| ZINC | ZINC000001538318 |
CONTENTS