Molecule Details
| InChIKey | VDHAWDNDOKGFTD-MRXNPFEDSA-N |
|---|---|
| Compound Name | Cinacalcet |
| Canonical SMILES | C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01012 |
|---|---|
| Drug Name | Cinacalcet |
| CAS Number | 226256-56-0 |
| Groups | approved investigational |
| ATC Codes | H05BX01 |
| Description | Cinacalcet is a calcimimetic sold by Amgen under the trade name Sensipar® in North America and Australia and as Mimpara® in Europe. It is used to treat hyperparathyroidism due to parathyroid tumours or renal failure. |
Categories: Anti-Parathyroid Agents Calcimimetic Agents Calcium Homeostasis Calcium-Regulating Hormones and Agents Calcium-sensing Receptor Agonist Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strong) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Increased Calcium-sensing Receptor Sensitivity Naphthalenes Other Miscellaneous Therapeutic Agents Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins
Cross-references: BindingDB: 50416875 ChEBI: 48390 CHEMBL1201284 ChemSpider: 137743 Drugs Product Database (DPD): 13352 Guide to Pharmacology: 3308 IUPHAR: 3308 D03504 PDB: YP4 PharmGKB: PA164776671 PubChem:156419 PubChem:46506315 RxCUI: 407990 Therapeutic Targets Database: DAP000256 Wikipedia: Cinacalcet ZINC: ZINC000001550499
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.0 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.4 | Ki | ChEMBL |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.1 | Ki | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P47898 | HTR5A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |