| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8OEC3RA07X |
Structure
| InChI Key | MNQDKWZEUULFPX-UHFFFAOYSA-M |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H23IN2S2 |
| Molecular Weight | 518.49 |
| AlogP | 6.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 7.12 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 91 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 228275 |
| ChEMBL | CHEMBL421701 |
| EPA CompTox | DTXSID8022955 |
| FDA SRS | 8OEC3RA07X |
| KEGG | C18391 |
| PubChem | 10578 |
| SureChEMBL | SCHEMBL22877 |
CONTENTS