| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C01DX04 |
| UNII: | 75CL65GTYR |
Structure
| InChI Key | CZCHIEJNWPNBDE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H12I2O3 |
| Molecular Weight | 518.09 |
| AlogP | 5.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.44 |
| Molecular species | ACID |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Calmodulin inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 3400-3400 | - | - | - | |
|
Secreted protein
|
8900 | 4500 | 78-410 | - | - | |
|
Unclassified protein
|
- | - | 8000 | - | - |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135814 |
| ChEMBL | CHEMBL232201 |
| DrugBank | DB13277 |
| DrugCentral | 321 |
| EPA CompTox | DTXSID1046134 |
| FDA SRS | 75CL65GTYR |
| PDB | PJO |
| PubChem | 6237 |
| SureChEMBL | SCHEMBL308541 |
| ZINC | ZINC000003875456 |
CONTENTS