The Drug Ontology

Last uploaded: December 20, 2024

Preferred Name	semaglutide
Synonyms	NNC 0113-0217 NNC-0113-0217 NN 9535 NN-9535 NN9535 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
Definitions	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.
ID	http://purl.obolibrary.org/obo/CHEBI_167574
alternative label	NNC 0113-0217 NNC-0113-0217 NN 9535 NN-9535 NN9535 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
charge	0
database_cross_reference	PMID:31975761 PMID:33615400 PMID:33447122 Chemspider:34981134 Wikipedia:Semaglutide PMID:33159658 PMID:33354706 PMID:33257834 PMID:33417950 PMID:33185364 PMID:31770356 PMID:32476529 PMID:29431519 DrugBank:DB13928 PMID:30741689 PMID:33591618 PMID:32921892 PMID:33179892 PMID:33567185 PMID:33074557 PMID:33627989 CAS:910463-68-2 PMID:33363667 PMID:32232400 PMID:31305048 PMID:33108617 PMID:33222922 PMID:31952996 PMID:31486321 PMID:24608440 PMID:32890462 PMID:33627997 PMID:33439583 PMID:33439580 PMID:33565043 PMID:31801807 KEGG:D10025
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.
formula	C187H291N45O59
has characteristic	http://purl.obolibrary.org/obo/CHEBI_71196 http://purl.obolibrary.org/obo/CHEBI_35526 http://purl.obolibrary.org/obo/CHEBI_63726 http://purl.obolibrary.org/obo/CHEBI_50507 http://purl.obolibrary.org/obo/CHEBI_74518
has role	http://purl.obolibrary.org/obo/CHEBI_71196 http://purl.obolibrary.org/obo/CHEBI_35526 http://purl.obolibrary.org/obo/CHEBI_63726 http://purl.obolibrary.org/obo/CHEBI_50507 http://purl.obolibrary.org/obo/CHEBI_74518
has_exact_synonym	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
has_obo_namespace	chebi_ontology
has_related_synonym	NNC 0113-0217 NNC-0113-0217 NN 9535 NN-9535 NN9535 Ozempic Rybelsus
has_RxCUI	1991302
id	CHEBI:167574
in_subset	http://purl.obolibrary.org/obo/chebi#3_STAR
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
label	semaglutide
mass	4113.641
monoisotopicmass	4111.11538
notation	CHEBI:167574
prefLabel	semaglutide
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
subClassOf	http://purl.obolibrary.org/obo/CHEBI_46895 http://purl.obolibrary.org/obo/CHEBI_15841

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_167574	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_167574	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_167574	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_167574	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_167574	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_167574	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_167574	CHEBI	LOOM
http://purl.bioontology.org/ontology/ATC/A10BJ06	ATC	LOOM
http://www.semanticweb.org/khaled/ontologies/2024/7/CDMOnto#Semaglutide	CDMONTO	LOOM
https://go.drugbank.com/drugs/DB13928	MDM	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C152328	NCIT	LOOM
http://purl.bioontology.org/ontology/RXNORM/1991302	RXNORM	LOOM
http://purl.obolibrary.org/obo/CHEBI_167574	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_167574	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_167574	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_167574	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_167574	DDSS	LOOM
http://purl.bioontology.org/ontology/MESH/C000591245	MESH	LOOM
http://purl.bioontology.org/ontology/VANDF/4037164	VANDF	LOOM
http://purl.obolibrary.org/obo/DRON_00807840	PDRO	LOOM
http://purl.bioontology.org/ontology/NDDF/017424	NDDF	LOOM
http://purl.obolibrary.org/obo/NCIT_C152328	BERO	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/764283003	SNOMEDCT	LOOM