Ziconotide (CED0006993)

Record Information
Version1.0
Creation Date2026-04-05 10:45:57 UTC
Update Date2026-04-14 16:06:17 UTC
SynCED IDCED0006993
Secondary Accession Numbers
  • CHEM099486
Identification
Common NameZiconotide
ClassSmall Molecule
Description
Ziconotide is an organic compound with the chemical formula C102H172N36O32S7. Ziconotide belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 2,639 g/mol, Ziconotide is a heavy molecule. This compound acts as an inhibitor of two protein targets: the Voltage-dependent N-type calcium channel subunit alpha-1B (CACNA1B) and the Voltage-dependent P/Q-type calcium channel subunit alpha-1A (CACNA1A). The compound is found in or released from three recorded sources, including antennas in electrical and electronic equipment, other smoking requisites in household cleaning and consumer products, and analgesics in healthcare, pharmaceuticals, and veterinary products. The recorded exposure route for Ziconotide is intrathecal.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC102H172N36O32S7
Average Molecular Mass2639.140 g/mol
Monoisotopic Mass2637.098 g/mol
CAS Registry Number107452-89-1
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H]N=C(N([H])[H])N([H])CCC[C@@H]1N([H])C(=O)[C@H](CO)N([H])C(=O)[C@]2([H])CSSC[C@]3([H])N([H])C(=O)[C@H](CO)N([H])C(=O)CN([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(CSSC[C@H](N([H])[H])C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])CC(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])CC(=O)N([H])[C@@H](C)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N2[H])N([H])C(=O)[C@]([H])(CSSC[C@H](N([H])C(=O)[C@H](CCCCN([H])[H])N([H])C(=O)CN([H])C(=O)[C@H](CO)N([H])C(=O)[C@H](CCCN([H])C(=N[H])N([H])[H])N([H])C3=O)C(=O)N([H])[H])N([H])C(=O)[C@H](CC(O)=O)N([H])C(=O)[C@H](CC2=CC=C(O)C=C2)N([H])C(=O)[C@H](CCSC)N([H])C(=O)[C@H](CC(C)C)N([H])C1=O)[C@@H](C)O
InChI IdentifierInChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1
InChI KeyBPKIMPVREBSLAJ-QTBYCLKRSA-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
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
neuropathic painNot AvailableNot AvailableNot AvailablePMC11748958 , PMC11876455
chronic painNot AvailableNot AvailableA state in which pain lasts for several weeks or months and may increase in severity.PMC9867211
Pain PerceptionHas Therapeutic Effect OnNot AvailableNot AvailablePMC13027525
Intractable PainNot AvailableNot AvailableNot AvailablePMC2993000
Exposure Sources
Source IDSourceSectorReference
CEDs000370Analgesics?Analgesics are a class of synthetic chemicals designed to alleviate pain.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
3 pathwaysPathway Source: PathBank
Ziconotide NMDA and Substance P Receptor Pain Inhibition Action Pathway
Ziconotide NMDA and Substance P Receptor Pain Inhibition Action Pathway
Ziconotide Analgesia Action Pathway
Ziconotide Analgesia Action Pathway
Ziconotide Drug Metabolism Action Pathway
Ziconotide Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.564
Applicability Domain
0.623
Statistical Significance
0.0013
Supporting Reference Compounds
331
E-value
9.809
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)
Prediction Confidence Score
0.564
Applicability Domain
0.623
Statistical Significance
6.60e-04
Supporting Reference Compounds
158
E-value
5.13805
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)
Prediction Confidence Score
0.562
Applicability Domain
0.606
Statistical Significance
8.00e-04
Supporting Reference Compounds
195
E-value
6.22794
Serine protease 1 structureClick to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)
Prediction Confidence Score
0.556
Applicability Domain
0.57
Statistical Significance
5.30e-04
Supporting Reference Compounds
74
E-value
4.12601
Sodium channel protein type 9 subunit alpha structureClick to view 3D structureSodium channel protein type 9 subunit alphaQ15858HumansPredicted (SEA)
Prediction Confidence Score
0.535
Applicability Domain
0.58
Statistical Significance
0.0021
Supporting Reference Compounds
125
E-value
16.3483
Suppressor of tumorigenicity 14 protein structureClick to view 3D structureSuppressor of tumorigenicity 14 proteinQ9Y5Y6HumansPredicted (SEA)
Prediction Confidence Score
0.535
Applicability Domain
0.559
Statistical Significance
8.00e-04
Supporting Reference Compounds
74
E-value
6.22794
Lymphocyte activation gene 3 protein structureClick to view 3D structureLymphocyte activation gene 3 proteinP18627HumansPredicted (SEA)
Prediction Confidence Score
0.534
Applicability Domain
0.534
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Kallikrein-4 structureClick to view 3D structureKallikrein-4Q9Y5K2HumansPredicted (SEA)
Prediction Confidence Score
0.531
Applicability Domain
0.623
Statistical Significance
4.30e-04
Supporting Reference Compounds
14
E-value
3.34752
Melanoma-associated antigen 4 structureClick to view 3D structureMelanoma-associated antigen 4P43358HumansPredicted (SEA)
Prediction Confidence Score
0.526
Applicability Domain
0.526
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Sodium channel protein type 4 subunit alpha structureClick to view 3D structureSodium channel protein type 4 subunit alphaP35499HumansPredicted (SEA)
Prediction Confidence Score
0.523
Applicability Domain
0.56
Statistical Significance
0.0011
Supporting Reference Compounds
34
E-value
8.95266
Sodium channel protein type 5 subunit alpha structureClick to view 3D structureSodium channel protein type 5 subunit alphaQ14524HumansPredicted (SEA)
Prediction Confidence Score
0.523
Applicability Domain
0.56
Statistical Significance
0.0015
Supporting Reference Compounds
139
E-value
11.5217
Sodium channel protein type 8 subunit alpha structureClick to view 3D structureSodium channel protein type 8 subunit alphaQ9UQD0HumansPredicted (SEA)
Prediction Confidence Score
0.523
Applicability Domain
0.56
Statistical Significance
0.0012
Supporting Reference Compounds
65
E-value
9.26406
Relaxin-3 receptor 2 structureClick to view 3D structureRelaxin-3 receptor 2Q8TDU9HumansPredicted (SEA)
Prediction Confidence Score
0.523
Applicability Domain
0.581
Statistical Significance
8.30e-04
Supporting Reference Compounds
3
E-value
6.46149
Inducible T-cell costimulator structureClick to view 3D structureInducible T-cell costimulatorQ9Y6W8HumansPredicted (SEA)
Prediction Confidence Score
0.522
Applicability Domain
0.522
Statistical Significance
4.50e-04
Supporting Reference Compounds
1
E-value
3.50322
Kallikrein-7 structureClick to view 3D structureKallikrein-7P49862HumansPredicted (SEA)
Prediction Confidence Score
0.521
Applicability Domain
0.623
Statistical Significance
3.80e-04
Supporting Reference Compounds
24
E-value
2.95827
Sodium channel protein type 2 subunit alpha structureClick to view 3D structureSodium channel protein type 2 subunit alphaP04775Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.52
Applicability Domain
0.58
Statistical Significance
6.80e-04
Supporting Reference Compounds
21
E-value
5.29375
Click to view 3D structureKallikrein-14Q9P0G3HumansPredicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
0.623
Statistical Significance
5.50e-04
Supporting Reference Compounds
22
E-value
4.28171
Kallikrein-5 structureClick to view 3D structureKallikrein-5Q9Y337HumansPredicted (SEA)
Prediction Confidence Score
0.518
Applicability Domain
0.623
Statistical Significance
4.30e-04
Supporting Reference Compounds
34
E-value
3.34752
Envelope glycoprotein gp160 structureClick to view 3D structureEnvelope glycoprotein gp160P19550Human immunodeficiency virus type 1 group M subtype B (isolate SF162)(HIV-1)Predicted (SEA)
Prediction Confidence Score
0.515
Applicability Domain
0.515
Statistical Significance
4.90e-04
Supporting Reference Compounds
1
E-value
3.81461
Click to view 3D structureVoltage-dependent calcium channel alpha-1 subunitO18323Blattella germanicaPredicted (SEA)
Prediction Confidence Score
0.503
Applicability Domain
0.503
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.56341
Coagulation factor XII structureClick to view 3D structureCoagulation factor XIIP00748HumansPredicted (SEA)
Prediction Confidence Score
0.501
Applicability Domain
0.606
Statistical Significance
4.90e-04
Supporting Reference Compounds
73
E-value
3.81461
Click to view 3D structureSodium channel protein type 9 subunit alphaO08562Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.499
Applicability Domain
0.55
Statistical Significance
8.60e-04
Supporting Reference Compounds
30
E-value
6.69503
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)
Prediction Confidence Score
0.496
Applicability Domain
0.566
Statistical Significance
4.70e-04
Supporting Reference Compounds
55
E-value
3.65891
Prolactin receptor structureClick to view 3D structureProlactin receptorP16471HumansPredicted (SEA)
Prediction Confidence Score
0.496
Applicability Domain
0.496
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Alpha-amylase structureClick to view 3D structureAlpha-amylaseP56634Tenebrio molitorPredicted (SEA)
Prediction Confidence Score
0.489
Applicability Domain
0.489
Statistical Significance
7.10e-04
Supporting Reference Compounds
1
E-value
5.52729
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available