exenatide (CED0002613)

Record Information

Version

1.0

Creation Date

2016-06-03 10:12:16 UTC

Update Date

2026-04-13 20:48:38 UTC

Accession Number

CHEM042793

Identification

Common Name

exenatide

Class

Small Molecule

Description

exenatide 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 Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
AC 2993 lar	MeSH
Byetta	MeSH
Ex4 peptide	MeSH
ITCA 650	MeSH
Peptide, ex4	MeSH
Bydureon	MeSH
Exendin 4	MeSH
Exendin-4	MeSH

Chemical Formula

C₁₈₄H₂₈₂N₅₀O₆₀S

Average Molecular Mass

4186.630 g/mol

Monoisotopic Mass

4184.027 g/mol

CAS Registry Number

141758-74-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCC(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 Identifier

InChI=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 Key

HTQBXNHDCUEHJF-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.

Kingdom

Organic compounds

Super Class

Organic Polymers

Class

Polypeptides

Sub Class

Not Available

Direct Parent

Polypeptides

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 Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
263	Blood glucose lowering drugs, excl. insulins	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Glucagon-like peptide 1 receptor	P43220	Humans	Predicted (SEA)	56.8299
Click to view 3D structure	Sclerostin	Q99P67	Rattus norvegicus	Predicted (SEA)	48.7336
Click to view 3D structure	Dickkopf WNT-signaling pathway inhibitor 1	A6I0Z0	Rattus norvegicus	Predicted (SEA)	49.6678
Click to view 3D structure	G-protein coupled receptor Mth	O97148	Drosophila melanogaster	Predicted (SEA)	50.7577
Click to view 3D structure	Neuropeptide Y receptor type 2	P49146	Humans	Predicted (SEA)	73.5675
Click to view 3D structure	Glucagon-like peptide 2 receptor	Q9Z0W0	Rattus norvegicus	Predicted (SEA)	57.7641
Click to view 3D structure	Apical membrane antigen 1	Q7KQK5	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	56.2071
Click to view 3D structure	Glucagon-like peptide 1 receptor	O35659	Mus musculus	Predicted (SEA)	59.3211
Click to view 3D structure	Glucagon receptor	P47871	Humans	Predicted (SEA)	64.1478
Click to view 3D structure	Neuropeptide Y receptor type 1	P25929	Humans	Predicted (SEA)	83.7658
Click to view 3D structure	Caveolin-1	Q03135	Humans	Predicted (SEA)	61.1116
Click to view 3D structure	Glucagon-like peptide 2 receptor	O95838	Humans	Predicted (SEA)	61.5009
Click to view 3D structure	Glucagon receptor	P30082	Rattus norvegicus	Predicted (SEA)	65.4712
Click to view 3D structure	Gastric inhibitory polypeptide receptor	P48546	Humans	Predicted (SEA)	58.1534
Click to view 3D structure	Alpha-cobratoxin	P01391	Naja kaouthia	Predicted (SEA)	70.9206
Click to view 3D structure	Glucagon receptor	Q61606	Mus musculus	Predicted (SEA)	64.4592
Click to view 3D structure	Glucagon-like peptide 1 receptor	F8V479	Macaca fascicularis	Predicted (SEA)	61.0338
Click to view 3D structure	Glucagon-like peptide 1 receptor	P32301	Rattus norvegicus	Predicted (SEA)	44.4519
Click to view 3D structure	Prolactin-releasing peptide	P81277	Humans	Predicted (SEA)	85.8677
Click to view 3D structure	Appetite-regulating hormone	Q9BDJ6	Bos taurus	Predicted (SEA)	58.7762
Click to view 3D structure	Appetite-regulating hormone	Q9UBU3	Humans	Predicted (SEA)	61.1116
Click to view 3D structure	Glucagon-1	O42143	Xenopus laevis	Predicted (SEA)	85.712
Click to view 3D structure	Syntenin-1	O00560	Humans	Predicted (SEA)	49.045
Click to view 3D structure	Melanocortin receptor 4	P32245	Humans	Predicted (SEA)	163.016
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	314.511