Survodutide
PubChem CID
168429725
Structure
Molecular Formula
Synonyms
- Survodutide
- 2805997-46-8
- GTPL13383
- EX-A7878
- BI456906
Molecular Weight
4232 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2023-07-20
- Modify:2025-01-18
Description
Survodutide is under investigation in clinical trial NCT06077864 (A Study to Test the Effect of Survodutide (BI 456906) on Cardiovascular Safety in People With Overweight or Obesity (SYNCHRONIZE™ - CVOT)).
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, too flexible
SVG Image
18-[[4-[[2-[[(2R)-1-[[2-[[(2R)-1-[[2-[[2-[[(5R)-5-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[1-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]cyclobutanecarbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-6-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
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
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
MEDXQFAHWBMVIM-YIUAJOCSSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
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
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C192H289N47O61
Computed by PubChem 2.2 (PubChem release 2021.10.14)
2805997-46-8
BI 456906
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
4232 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-14.1
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
62
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
66
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
149
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
4231.1024139 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
4229.0957042 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
1760 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
300
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
10100
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
32
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=MEDXQFAHWBMVIM-YIUAJOCSSA-N
- ClinicalTrials.govLICENSEThe ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useSurvodutidehttps://www.drugbank.ca/drugs/DB18989
- EU Clinical Trials Register
- IUPHAR/BPS Guide to PHARMACOLOGYLICENSEThe Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)https://www.guidetopharmacology.org/about.jsp#licenseGuide to Pharmacology Target Classificationhttps://www.guidetopharmacology.org/targets.jsp
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- Wikidatasurvodutidehttps://www.wikidata.org/wiki/Q123907235
- WikipediaSurvodutidehttps://en.wikipedia.org/wiki/Survodutide
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 504866597https://pubchem.ncbi.nlm.nih.gov/substance/504866597
CONTENTS