Pasireotide (CED0005714)

Record Information
Version1.0
Creation Date2026-04-14 16:19:53 UTC
Update Date2026-08-22 19:38:48 UTC
Accession NumberCHEM129895
Identification
Common NamePasireotide
ClassSmall Molecule
Description
Pasireotide is an organic compound with the chemical formula C58H66N10O9. Pasireotide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 1,047 g/mol, Pasireotide is a heavy molecule. This compound acts as an inhibitor of four specific protein targets: Somatostatin receptor type 1 (SSTR1), Somatostatin receptor type 2 (SSTR2), Somatostatin receptor type 3 (SSTR3), and Somatostatin receptor type 5 (SSTR5). Regarding its recorded sources, Pasireotide is associated with electrical and electronic equipment antennas, as well as healthcare, pharmaceuticals, and veterinary products specifically related to hypothalamic hormones. The recorded routes of exposure for this substance include subcutaneous and intramuscular administration.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC58H66N10O9
Average Molecular Mass1047.206 g/mol
Monoisotopic Mass1046.501 g/mol
CAS Registry Number396091-73-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1
InChI IdentifierInChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1
InChI KeyVMZMNAABQBOLAK-DBILLSOUSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08gl-9000000003-c2b20503d34c98bffc7dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000008-e7c249a95a0baa724895Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zfr-7916201000-60092b232aa0b23daa4fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9000000003-93882cd60e6a2612583fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0553-9000000014-58b3a704fed5a63a8899Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f79-9701212011-1b1ca9b47f3e6a9d7f07Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
330Hypothalamic hormonesHealthcare, pharmaceuticals & veterinary productsNot Available
506AntennasElectrical & Electronic EquipmentNot Available
Pathways
1 pathway
Pasireotide Drug Metabolism Action Pathway
Pasireotide Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCCN family member 2P29279HumansPredicted (SEA)6.61718
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)150.327
Somatostatin receptor type 4 structureClick to view 3D structureSomatostatin receptor type 4P31391HumansPredicted (SEA)20.7857
Somatostatin receptor type 5 structureClick to view 3D structureSomatostatin receptor type 5P35346HumansPredicted (SEA)23.744
Somatostatin receptor type 2 structureClick to view 3D structureSomatostatin receptor type 2P30874HumansPredicted (SEA)25.301
Somatostatin receptor type 3 structureClick to view 3D structureSomatostatin receptor type 3P32745HumansPredicted (SEA)23.1212
Somatostatin receptor type 1 structureClick to view 3D structureSomatostatin receptor type 1P30872HumansPredicted (SEA)22.187
Click to view 3D structureSomatostatin receptor type 5P30938Rattus norvegicusPredicted (SEA)19.1509
Click to view 3D structureSomatostatin receptor type 2P30875MousePredicted (SEA)19.3066
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)169.166
Click to view 3D structureUrotensin-2 receptorP49684Rattus norvegicusPredicted (SEA)7.62922
Calcium and integrin-binding protein 1 structureClick to view 3D structureCalcium and integrin-binding protein 1Q99828HumansPredicted (SEA)22.4206
Urotensin-2 receptor structureClick to view 3D structureUrotensin-2 receptorQ9UKP6HumansPredicted (SEA)24.6004
Epidermal growth factor receptor substrate 15 structureClick to view 3D structureEpidermal growth factor receptor substrate 15P42566HumansPredicted (SEA)22.9655
Substance-P receptor structureClick to view 3D structureSubstance-P receptorP25103HumansPredicted (SEA)116.073
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)292.557
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)262.196
Click to view 3D structureSomatostatin receptor type 3P30935Mus musculusPredicted (SEA)18.8395
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)286.252
Melanocyte-stimulating hormone receptor structureClick to view 3D structureMelanocyte-stimulating hormone receptorQ01726HumansPredicted (SEA)134.601
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)145.111
Click to view 3D structureActin, cytoplasmic 1O93400Xenopus laevisPredicted (SEA)7.00643
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)143.865
Click to view 3D structureSodium channel protein type 4 subunit alphaQ9ER60Mus musculusPredicted (SEA)21.5642
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)161.537
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available