| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D01AE11 |
| UNII: | AIU7053OWL |
Structure
| InChI Key | CTETYYAZBPJBHE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H4Cl3IO |
| Molecular Weight | 361.39 |
| AlogP | 4.42 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 9.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cell membrane inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Isomerase
|
- | 500 | - | - | - | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 2
|
10000 | - | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 777-11-7 |
| ChEBI | 5614 |
| ChEMBL | CHEMBL1289 |
| DrugBank | DB00793 |
| DrugCentral | 1355 |
| EPA CompTox | DTXSID9046865 |
| FDA SRS | AIU7053OWL |
| Human Metabolome Database | HMDB0014931 |
| KEGG | D00339 |
| PharmGKB | PA164768737 |
| PubChem | 3561 |
| SureChEMBL | SCHEMBL3649 |
| ZINC | ZINC000001530649 |
CONTENTS