| Status: | Approved (1984) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 3Y68K91A3M |
Structure
| InChI Key | CORFWQGVBFFZHF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8INO3 |
| Molecular Weight | 305.07 |
| AlogP | 1.11 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 66.4 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 18.91 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 10.74-36.62 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 140408 |
| ChEMBL | CHEMBL1681 |
| DrugBank | DB15445 |
| EPA CompTox | DTXSID8046161 |
| FDA SRS | 3Y68K91A3M |
| PubChem | 8614 |
| SureChEMBL | SCHEMBL589803 |
| ZINC | ZINC000000388058 |
CONTENTS