semaglutide

CHEBI:CHEBI_167574

Definition

A polypeptide that contains a linear sequence of 31 amino acids joined together by peptide linkages. It is an agonist of glucagon-like peptide-1 receptors (GLP-1 AR) and used for the treatment of type 2 diabetes.

Chemical Information

Molecular Formula
C187H291N45O59
Molecular Mass
4113.641
Charge
0
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CN=CN1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
InChI
InChI=1S/C187H291N45O59/c1-18-105(10)154(180(282)208-108(13)159(261)216-133(86-114-89-200-119-50-40-39-49-117(114)119)170(272)218-129(82-102(4)5)171(273)228-152(103(6)7)178(280)215-121(53-44-72-199-186(192)193)162(264)201-91-141(242)209-120(52-43-71-198-185(190)191)161(263)204-94-151(257)258)230-172(274)131(83-111-45-33-31-34-46-111)219-167(269)126(64-69-149(253)254)214-166(268)122(51-41-42-70-195-144(245)98-290-79-78-289-76-74-197-145(246)99-291-80-77-288-75-73-196-139(240)66-61-127(183(285)286)211-140(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-146(247)248)212-158(260)107(12)206-157(259)106(11)207-165(267)125(60-65-138(189)239)210-142(243)92-202-163(265)123(62-67-147(249)250)213-168(270)128(81-101(2)3)217-169(271)130(85-113-56-58-116(238)59-57-113)220-175(277)135(95-233)223-177(279)137(97-235)224-179(281)153(104(8)9)229-174(276)134(88-150(255)256)221-176(278)136(96-234)225-182(284)156(110(15)237)231-173(275)132(84-112-47-35-32-36-48-112)222-181(283)155(109(14)236)227-143(244)93-203-164(266)124(63-68-148(251)252)226-184(287)187(16,17)232-160(262)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,245)(H,196,240)(H,197,246)(H,201,264)(H,202,265)(H,203,266)(H,204,263)(H,206,259)(H,207,267)(H,208,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1
InChIKey
DLSWIYLPEUIQAV-CCUURXOWSA-N

Alternative Names

  • NN 9535
  • NN-9535
  • NN9535
  • NNC 0113-0217
  • NNC-0113-0217
  • Ozempic
  • Rybelsus
  • L-histidyl-2-methylalanyl-L-alpha-glutamylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-valyl-L-seryl-L-seryl-L-tyrosyl-L-leucyl-L-alpha-glutamylglycyl-L-glutaminyl-L-alanyl-L-alanyl-N(6)-((N-(17-carboxyheptadecanoyl)-D-gamma-glutamyl)amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanan-1-oyl)-L-lysyl-L-alpha-glutamyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-tryptophyl-L-leucyl-L-valyl-L-arginylglycyl-L-arginylglycine

Treatment Applications

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1991302
oboInOwl#hasDbXref
Wikipedia:Semaglutide
core#notation
CHEBI:167574

Additional References

Wikipedia:Semaglutide

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

product_type
BULK INGREDIENT
marketing_category
BULK INGREDIENT FOR HUMAN PRESCRIPTION COMPOUNDING
dosage_form
INJECTION, POWDER, LYOPHILIZED, FOR SOLUTION
marketing_start_date
20211211
labeler_name
Guangdong HEC Bio&Pharm Co., Ltd.
application_number
NDA209637
product_ndc
43835-0031
oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1991302
oboInOwl#hasDbXref
Wikipedia:Semaglutide
oboInOwl#id
CHEBI:167574
brand_name
OZEMPIC
brand_name_base
OZEMPIC
generic_name
Semaglutide Base
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_50507
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
listing_expiration_date
20241231
spl_id
c22d193c-7cd2-452d-b943-b0f39cbbfd12
package_description
1600 g in 1 BAG (55463-0040-0)
route
SUBCUTANEOUS
package_ndc
84772-001-04
rxcui
2619154
package_marketing_start_date
12-OCT-24
manufacturer_name
A-S Medication Solutions
unii
53AXN4NNHX
spl_set_id
e6da837c-0da0-41d6-973c-5559bf764367
core#notation
CHEBI:167574
active_ingredient_strength
2.68 mg/mL
active_ingredient_name
SEMAGLUTIDE
nui
M0160181
pharm_class_epc
GLP-1 Receptor Agonist [EPC]
pharm_class
Glucagon-Like Peptide 1 [CS]
pharm_class_moa
Glucagon-like Peptide-1 (GLP-1) Agonists [MoA]
pharm_class_cs
Glucagon-Like Peptide 1 [CS]
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_105093
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect8131
owl#annotatedSource
t127062
has_treatment
http://purl.obolibrary.org/obo/DOID_9970
owl#someValuesFrom
t3866024