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survodutide   Click here for help

GtoPdb Ligand ID: 13383

Synonyms: BI 456906 | BI456906
Compound class: Peptide
Comment: Survodutide (BI 456906) is a long-acting glucagon/GLP-1 receptor dual agonist [6]. Structurally it is an acylated peptide with a C18 fatty acid conjugate (mediates albumin binding), that in conjunction with removal of a dipeptidyl peptidase-4 proteolytic site, acts to extend its circulating half-life.
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES CC[C@H](C)[C@@H](C(=O)N[C@H](CCCCNC(=O)CNC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)C7(CCC7)NC(=O)[C@H](CC8=CNC=N8)N
Isomeric SMILES CC[C@H](C)[C@@H](C(=O)N[C@H](CCCCNC(=O)CNC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)C7(CCC7)NC(=O)[C@H](CC8=CNC=N8)N
InChI InChI=1S/C192H289N47O61/c1-12-103(6)157(186(295)221-122(170(279)227-134(83-113-88-203-119-48-34-33-47-117(113)119)177(286)223-128(77-101(2)3)173(282)219-126(66-70-153(261)262)172(281)232-140(97-242)183(292)210-104(7)160(197)269)51-37-40-75-201-146(252)90-205-147(253)91-206-165(274)138(95-240)215-149(255)93-208-166(275)139(96-241)214-148(254)92-204-144(250)68-64-127(189(298)299)213-145(251)53-31-23-21-19-17-15-13-14-16-18-20-22-24-32-54-151(257)258)237-181(290)132(79-109-43-27-25-28-44-109)226-179(288)136(86-155(265)266)228-168(277)120(49-35-38-73-193)216-162(271)106(9)211-161(270)105(8)212-167(276)123(52-41-76-202-191(198)199)217-171(280)125(65-69-152(259)260)220-178(287)135(85-154(263)264)229-174(283)129(78-102(4)5)222-175(284)130(81-111-55-59-115(247)60-56-111)224-169(278)121(50-36-39-74-194)218-184(293)141(98-243)233-176(285)131(82-112-57-61-116(248)62-58-112)225-180(289)137(87-156(267)268)230-185(294)142(99-244)234-188(297)159(108(11)246)238-182(291)133(80-110-45-29-26-30-46-110)231-187(296)158(107(10)245)236-150(256)94-207-164(273)124(63-67-143(196)249)235-190(300)192(71-42-72-192)239-163(272)118(195)84-114-89-200-100-209-114/h25-30,33-34,43-48,55-62,88-89,100-108,118,120-142,157-159,203,240-248H,12-24,31-32,35-42,49-54,63-87,90-99,193-195H2,1-11H3,(H2,196,249)(H2,197,269)(H,200,209)(H,201,252)(H,204,250)(H,205,253)(H,206,274)(H,207,273)(H,208,275)(H,210,292)(H,211,270)(H,212,276)(H,213,251)(H,214,254)(H,215,255)(H,216,271)(H,217,280)(H,218,293)(H,219,282)(H,220,287)(H,221,295)(H,222,284)(H,223,286)(H,224,278)(H,225,289)(H,226,288)(H,227,279)(H,228,277)(H,229,283)(H,230,294)(H,231,296)(H,232,281)(H,233,285)(H,234,297)(H,235,300)(H,236,256)(H,237,290)(H,238,291)(H,239,272)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,298,299)(H4,198,199,202)/t103-,104+,105-,106-,107+,108+,118-,120-,121-,122+,123-,124-,125-,126+,127?,128+,129-,130+,131-,132-,133-,134+,135-,136-,137-,138+,139+,140+,141-,142-,157-,158-,159-/m0/s1
InChI Key MEDXQFAHWBMVIM-YIUAJOCSSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
References
1. Jungnik A, Arrubla Martinez J, Plum-Mörschel L, Kapitza C, Lamers D, Thamer C, Schölch C, Desch M, Hennige AM. (2023)
Phase I studies of the safety, tolerability, pharmacokinetics and pharmacodynamics of the dual glucagon receptor/glucagon-like peptide-1 receptor agonist BI 456906.
Diabetes Obes Metab, 25 (4): 1011-1023. [PMID:36527386]
2. Kaya E, Yilmaz Y, Alkhouri N. (2024)
Survodutide in MASH: bridging the gap between hepatic and systemic metabolic dysfunction.
Expert Opin Investig Drugs, 33 (12): 1167-1176. [PMID:39663847]
3. Kosiborod MN, Platz E, Wharton S, le Roux CW, Brueckmann M, Ajaz Hussain S, Unseld A, Startseva E, Kaplan LM, SYNCHRONIZE–CVOT Trial Committees and Investigators. (2024)
Survodutide for the Treatment of Obesity: Rationale and Design of the SYNCHRONIZE Cardiovascular Outcomes Trial.
JACC Heart Fail, 12 (12): 2101-2109. [PMID:39453356]
4. le Roux CW, Steen O, Lucas KJ, Startseva E, Unseld A, Hennige AM. (2024)
Glucagon and GLP-1 receptor dual agonist survodutide for obesity: a randomised, double-blind, placebo-controlled, dose-finding phase 2 trial.
Lancet Diabetes Endocrinol, 12 (3): 162-173. [PMID:38330987]
5. Sanyal AJ, Bedossa P, Fraessdorf M, Neff GW, Lawitz E, Bugianesi E, Anstee QM, Hussain SA, Newsome PN, Ratziu V et al.. (2024)
A Phase 2 Randomized Trial of Survodutide in MASH and Fibrosis.
N Engl J Med, 391 (4): 311-319. [PMID:38847460]
6. Zimmermann T, Thomas L, Baader-Pagler T, Haebel P, Simon E, Reindl W, Bajrami B, Rist W, Uphues I, Drucker DJ et al.. (2022)
BI 456906: Discovery and preclinical pharmacology of a novel GCGR/GLP-1R dual agonist with robust anti-obesity efficacy.
Mol Metab, 66: 101633. [PMID:36356832]