Molecule Details
| InChIKey | VMZMNAABQBOLAK-DBILLSOUSA-N |
|---|---|
| Compound Name | Pasireotide |
| Canonical SMILES | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06663 |
|---|---|
| Drug Name | Pasireotide |
| CAS Number | 396091-73-9 |
| Groups | approved investigational |
| ATC Codes | H01CB05 |
| Description | Pasireotide is a synthetic long-acting cyclic hexapeptide with somatostatin-like activity. It is marketed as a diaspartate salt called Signifor, which is used in the treatment of Cushing's disease. |
Categories: Amino Acids, Peptides, and Proteins Bradycardia-Causing Agents Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hyperglycemia-Associated Agents Hypoglycemia-Associated Agents Hypothalamic Hormones Nerve Tissue Proteins Neuropeptides Pancreatic Hormones Peptide Hormones Peptides Pituitary Hormone Release Inhibiting Hormones Pituitary and Hypothalamic Hormones and Analogues Potential QTc-Prolonging Agents Proteins QTc Prolonging Agents Somatostatin Agonists Somatostatin Receptor Agonists Somatostatin and Analogues Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins
Cross-references: BindingDB: 50474236 ChEBI: 72312 CHEMBL3349607 ChemSpider: 8117062 Drugs Product Database (DPD): 22149 D10147 PubChem:9941444 PubChem:175427082 RxCUI: 1364105 Wikipedia: Pasireotide
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 9.9 | Ki | ChEMBL;BindingDB |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL;BindingDB |
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P30872 | SSTR1 | Somatostatin receptor type 1 | inhibitor | targets |
| P30874 | SSTR2 | Somatostatin receptor type 2 | inhibitor | targets |
| P32745 | SSTR3 | Somatostatin receptor type 3 | inhibitor | targets |
| P35346 | SSTR5 | Somatostatin receptor type 5 | inhibitor | targets |