| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2004) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 1K860WSG25 |
| Parent Compound: | CINACALCET |
Structure
| InChI Key | QANQWUQOEJZMLL-PKLMIRHRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H23ClF3N |
| Molecular Weight | 393.88 |
| AlogP | 6.14 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 12.03 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| POSITIVE ALLOSTERIC MODULATOR | Calcium sensing receptor positive allosteric modulator | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family C G protein-coupled receptor
Ion receptor (family C GPCR)
Calcium sensing receptor
Calcium sensing receptor
|
20-180 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hyperparathyroidism, Secondary | 4 | D006962 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 48391 |
| ChEMBL | CHEMBL1200776 |
| EPA CompTox | DTXSID3046792 |
| FDA SRS | 1K860WSG25 |
| KEGG | D03504 |
| PubChem | 156418 |
| SureChEMBL | SCHEMBL133710 |
| ZINC | ZINC01550499 |
CONTENTS