Cholecystokinin (CED0001831)

Record Information
Version1.0
Creation Date2026-04-06 12:49:32 UTC
Update Date2026-08-28 16:01:16 UTC
Accession NumberCHEM124922
Identification
Common NameCholecystokinin
ClassSmall Molecule
Description
Cholecystokinin is a compound with the chemical formula C166H261N51O52S4. Cholecystokinin belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 3,931 g/mol, Cholecystokinin is a heavy molecule. This substance is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically unclassified diagnostic agents. The recorded exposure route for this compound is intravenous. Cholecystokinin interacts with six recorded protein targets. It acts as an agonist of Cholecystokinin receptor type A (CCKAR) and targets the RAF proto-oncogene serine/threonine-protein kinase (RAF1), Mitogen-activated protein kinase 3 (MAPK3), and Pro-epidermal growth factor (EGF), in addition to two other proteins.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC166H261N51O52S4
Average Molecular MassNot Available
Monoisotopic Mass3928.823 g/mol
CAS Registry Number9011-97-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C(C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(C1=CC=C(C=C1)OS(=O)(=O)O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC5=CNC=N5)NC(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CO)NC(=O)C7CCCN7C(=O)C(C)NC(=O)C(CCCCN)N
InChI IdentifierInChI=1S/C166H261N51O52S4/c1-15-84(9)130(159(261)211-116(78-220)154(256)206-110(68-125(227)228)150(252)191-97(38-27-54-182-165(176)177)139(241)205-112(70-127(231)232)152(254)215-132(88-42-44-91(45-43-88)269-273(266,267)268)161(263)197-100(48-58-270-12)135(237)185-75-124(226)190-106(64-89-72-184-94-35-21-20-33-92(89)94)146(248)195-101(49-59-271-13)141(243)204-111(69-126(229)230)151(253)198-103(133(173)235)63-87-31-18-17-19-32-87)213-143(245)98(39-28-55-183-166(178)179)192-147(249)107(65-90-73-180-80-187-90)201-153(255)115(77-219)210-157(259)119-41-30-57-217(119)163(265)113(71-128(233)234)207-145(247)105(62-82(5)6)200-149(251)109(67-122(172)224)203-140(242)99(46-47-120(170)222)193-144(246)104(61-81(3)4)199-148(250)108(66-121(171)223)202-138(240)96(36-23-25-52-168)196-158(260)129(83(7)8)212-160(262)131(85(10)16-2)214-155(257)117(79-221)208-142(244)102(50-60-272-14)194-137(239)95(37-26-53-181-164(174)175)189-123(225)74-186-136(238)114(76-218)209-156(258)118-40-29-56-216(118)162(264)86(11)188-134(236)93(169)34-22-24-51-167/h17-21,31-33,35,42-45,72-73,80-86,93,95-119,129-132,184,218-221H,15-16,22-30,34,36-41,46-71,74-79,167-169H2,1-14H3,(H2,170,222)(H2,171,223)(H2,172,224)(H2,173,235)(H,180,187)(H,185,237)(H,186,238)(H,188,236)(H,189,225)(H,190,226)(H,191,252)(H,192,249)(H,193,246)(H,194,239)(H,195,248)(H,196,260)(H,197,263)(H,198,253)(H,199,250)(H,200,251)(H,201,255)(H,202,240)(H,203,242)(H,204,243)(H,205,241)(H,206,256)(H,207,247)(H,208,244)(H,209,258)(H,210,259)(H,211,261)(H,212,262)(H,213,245)(H,214,257)(H,215,254)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)(H,266,267,268)
InChI KeyQFLBZJPOIZFFJQ-UHFFFAOYSA-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 Spectrumsplash10-03di-0002100019-8ff3c077547e0f0d0e47Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-1002220249-c0a485f98654affdc4afNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-2390043422-b94f3ae2f41706ef1227Not 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
411Unclassified diagnostic agentsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Cholecystokinin Drug Metabolism Action Pathway
Cholecystokinin Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureG-protein coupled receptor MthO97148Drosophila melanogasterPredicted (SEA)59.7882
Click to view 3D structureSclerostinQ99P67Rattus norvegicusPredicted (SEA)58.3091
Click to view 3D structureDickkopf WNT-signaling pathway inhibitor 1A6I0Z0Rattus norvegicusPredicted (SEA)61.423
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)79.0948
Neuropeptide Y receptor type 2 structureClick to view 3D structureNeuropeptide Y receptor type 2P49146HumansPredicted (SEA)96.3773
Click to view 3D structureApical membrane antigen 1Q7KQK5Plasmodium falciparum (isolate 3D7)Predicted (SEA)61.7344
Neuropeptide Y receptor type 1 structureClick to view 3D structureNeuropeptide Y receptor type 1P25929HumansPredicted (SEA)104.551
Click to view 3D structureGlucagon-like peptide 2 receptorQ9Z0W0Rattus norvegicusPredicted (SEA)75.0467
Caveolin-1 structureClick to view 3D structureCaveolin-1Q03135HumansPredicted (SEA)73.7232
Click to view 3D structureGlucagon-like peptide 1 receptorO35659Mus musculusPredicted (SEA)77.6935
Glucagon receptor structureClick to view 3D structureGlucagon receptorP47871HumansPredicted (SEA)87.6582
Glucagon-like peptide 2 receptor structureClick to view 3D structureGlucagon-like peptide 2 receptorO95838HumansPredicted (SEA)80.4961
Click to view 3D structureGlucagon receptorP30082Rattus norvegicusPredicted (SEA)81.586
Click to view 3D structureAlpha-cobratoxinP01391Naja kaouthiaPredicted (SEA)82.6759
Gastric inhibitory polypeptide receptor structureClick to view 3D structureGastric inhibitory polypeptide receptorP48546HumansPredicted (SEA)78.9391
Click to view 3D structureGlucagon receptorQ61606Mus musculusPredicted (SEA)82.7537
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)173.215
Prolactin-releasing peptide structureClick to view 3D structureProlactin-releasing peptideP81277HumansPredicted (SEA)100.425
Syntenin-1 structureClick to view 3D structureSyntenin-1O00560HumansPredicted (SEA)63.2136
Click to view 3D structureGlucagon-like peptide 1 receptorF8V479Macaca fascicularisPredicted (SEA)81.1189
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)360.053
Leukocyte surface antigen CD47 structureClick to view 3D structureLeukocyte surface antigen CD47Q08722HumansPredicted (SEA)101.905
Click to view 3D structureGlucagon-like peptide 1 receptorP32301Rattus norvegicusPredicted (SEA)61.7344
Click to view 3D structureGlucagon-1O42143Xenopus laevisPredicted (SEA)102.761
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)279.557
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available