exenatide (CHEM042793)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (26)XML
Record Information
Version1.0
Creation Date2016-06-03 10:12:16 UTC
Update Date2026-04-13 20:48:38 UTC
Accession NumberCHEM042793
Identification
Common Nameexenatide
ClassSmall Molecule
Descriptionexenatide belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 4,187 g/mol, exenatide is a heavy molecule with the formula C184H282N50O60S. It acts as an agonist of the Glucagon-like peptide 1 receptor (GLP1R). This compound is used in healthcare, pharmaceuticals, and veterinary products as a blood glucose lowering drug, excluding insulins. The recorded route of exposure for exenatide is subcutaneous.
Contaminant Sources
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
AC 2993 larMeSH
ByettaMeSH
Ex4 peptideMeSH
ITCA 650MeSH
Peptide, ex4MeSH
BydureonMeSH
Exendin 4MeSH
Exendin-4MeSH
Chemical FormulaC184H282N50O60S
Average Molecular Mass4186.630 g/mol
Monoisotopic Mass4184.027 g/mol
CAS Registry Number141758-74-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C(N=C(O)C(CC1=CC=CC=C1)N=C(O)C(CC(C)C)N=C(O)C(CCCNC(N)=N)N=C(O)C(N=C(O)C(C)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(CCSC)N=C(O)C(CCC(O)=N)N=C(O)C(CCCCN)N=C(O)C(CO)N=C(O)C(CC(C)C)N=C(O)C(CC(O)=O)N=C(O)C(CO)N=C(O)C(N=C(O)C(CC1=CC=CC=C1)N=C(O)C(N=C(O)CN=C(O)C(CCC(O)=O)N=C(O)CN=C(O)C(N)CC1=CN=CN1)C(C)O)C(C)O)C(C)C)C(O)=NC(CCC(O)=O)C(O)=NC(CC1=CNC2=CC=CC=C12)C(O)=NC(CC(C)C)C(O)=NC(CCCCN)C(O)=NC(CC(O)=N)C(O)=NCC(O)=NCC(=O)N1CCCC1C(O)=NC(CO)C(O)=NC(CO)C(O)=NCC(O)=NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(O)=NC(CO)C(O)=N
InChI IdentifierInChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)
InChI KeyHTQBXNHDCUEHJF-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
KingdomOrganic compounds
Super ClassOrganic Polymers
ClassPolypeptides
Sub ClassNot Available
Direct ParentPolypeptides
Alternative Parents
Substituents
  • Polypeptide
  • Alpha peptide
  • Hexacarboxylic acid or derivatives
  • Phenylalanine or derivatives
  • Arginine or derivatives
  • Histidine or derivatives
  • Glutamine or derivatives
  • Glutamic acid or derivatives
  • Leucine or derivatives
  • Isoleucine or derivatives
  • Aspartic acid or derivatives
  • Asparagine or derivatives
  • Methionine or derivatives
  • Valine or derivatives
  • Proline or derivatives
  • N-acyl-alpha amino acid or derivatives
  • Serine or derivatives
  • Triptan
  • Alpha-amino acid amide
  • Alanine or derivatives
  • 3-alkylindole
  • Amphetamine or derivatives
  • Alpha-amino acid or derivatives
  • N-substituted-alpha-amino acid
  • Indole or derivatives
  • Indole
  • Pyrrolidine-2-carboxamide
  • Pyrrolidine carboxylic acid or derivatives
  • N-acylpyrrolidine
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Fatty acyl
  • Benzenoid
  • Substituted pyrrole
  • N-acyl-amine
  • Fatty amide
  • Monocyclic benzene moiety
  • Heteroaromatic compound
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • Pyrrole
  • Imidazole
  • Azole
  • Amino acid
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Primary carboxylic acid amide
  • Guanidine
  • Carboxamide group
  • Amino acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Dialkylthioether
  • Sulfenyl compound
  • Carboximidamide
  • Thioether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Primary alcohol
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Imine
  • Carbonyl group
  • Amine
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0252144
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkExenatide
Chemspider ID78432866
ChEBI IDNot Available
PubChem Compound ID53396299
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available