linaclotide (Q3832559)

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chemical compound

Linzess
Cys cys glu tyr cys cys asn pro ala cys thr gly cys tyr (disulfide bridge: 1-6; 2-10; 5-13)
L-Cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-tyrosine cyclic (1->6),(2->10),(5->13)-tris(disulfide)
Linaclotide

Language	Label	Description	Also known as
English	linaclotide	chemical compound	Linzess Cys cys glu tyr cys cys asn pro ala cys thr gly cys tyr (disulfide bridge: 1-6; 2-10; 5-13) L-Cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-tyrosine cyclic (1->6),(2->10),(5->13)-tris(disulfide) Linaclotide

Statements

type of chemical entity

0 references

biogenic cyclopeptide

0 references

1 reference

Linaclotide (English)

language of work or name

publication date

17 November 2015

chemical structure

Linaclotide structure.svg
1,018 × 768; 50 KB

0 references

1,525.39 dalton

1 reference

language of work or name

Linaclotide (English)

18 November 2016

chemical formula

C₅₉H₇₉N₁₅O₂₁S₆

1 reference

language of work or name

Linaclotide (English)

18 November 2016

canonical SMILES

CC1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C(=O)NC(CSSCC(C(=O)N3)N)C(=O)NC(C(=O)N5CCCC5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O

1 reference

language of work or name

Linaclotide (English)

18 November 2016

isomeric SMILES

C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O

1 reference

language of work or name

Linaclotide (English)

18 November 2016

defined daily dose

0.29 milligram

route of administration

oral administration

1 reference

https://www.whocc.no/atc_ddd_index/?code=A06AX04

active ingredient in

1 reference

European Medicines Agency product number

EMEA/H/C/002490

http://www.ema.europa.eu/ema/index.jsp?curl=pages/medicines/human/medicines/002490/human_med_001597.jsp

22 March 2017

1 reference

14 February 2018

Escherichia coli

1 reference

Rectification of two Escherichia coli heat-stable enterotoxin allele sequences and lack of biological effect of changing the carboxy-terminal tyrosine to histidine

medical condition treated

irritable bowel syndrome

1 reference

Drug Indications Extracted from FAERS

2 October 2018

1 reference

Drug Indications Extracted from FAERS

2 October 2018

irritable bowel syndrome

30 August 2012

Food and Drug Administration

1 reference

Inxight: Drugs Database

2 November 2018

https://drugs.ncats.io/drug/N0TXR0XR5X

http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/202811s011lbl.pdf

30 August 2012

Food and Drug Administration

1 reference

Inxight: Drugs Database

2 November 2018

https://drugs.ncats.io/drug/N0TXR0XR5X

http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/202811s011lbl.pdf

physically interacts with

Guanylate cyclase 2C

subject has role

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

legal status (medicine)

1 reference

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

pregnancy category

US pregnancy category C

1 reference

imported from Wikimedia project

English Wikipedia

LiverTox likelihood score

LiverTox toxicity likelihood category E

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Linaclotide

13 May 2019

subject has role

guanylyl cyclase C agonist

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Commons category

Linaclotide

0 references

Identifiers

InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1

0 references

KXGCNMMJRFDFNR-WDRJZQOASA-N

2 references

language of work or name

Linaclotide (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

Global Substance Registration System

language of work or name

linaclotide (English)

18 November 2016

1 reference

language of work or name

Linaclotide (English)

18 November 2016

2 references

language of work or name

Linaclotide (English)

18 November 2016

matched by identifier from

KXGCNMMJRFDFNR-WDRJZQOASA-N

mapping relation type

2 references

language of work or name

LINACLOTIDE (English)

18 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1

1 reference

language of work or name

LINACLOTIDE (English)

18 November 2016

UniChem compound ID

1 reference

1 reference

Hazardous Substances Data Bank

publication date

28 October 2019

Linaclotide (English)

10 May 2021

DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

KXGCNMMJRFDFNR-WDRJZQOASA-N

DSSTOX compound identifier

0 references

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

H-Cys(1)-Cys(2)-Glu-Tyr-Cys(3)-Cys(1)-Asn-Pro-Ala-Cys(2)-Thr-Gly-Cys(3)-Tyr-OH (English)

CAS no.: 851199-59-2 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

H-Cys(1)-Cys(2)-Glu-Tyr-Cys(3)-Cys(1)-Asn-Pro-Ala-Cys(2)-Thr-Gly-Cys(3)-Tyr-OH (English)

CAS no.: 851199-59-2 (English)

1 reference

language of work or name

Linaclotide (English)

publication date

17 November 2015

Guide to Pharmacology Ligand ID

0 references

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

Global Substance Registration System

language of work or name

linaclotide (English)

18 November 2016

1 reference

matched by identifier from

KXGCNMMJRFDFNR-WDRJZQOASA-N

reason for deprecated rank

cannot be confirmed by other sources

1 reference

Global Substance Registration System

language of work or name

linaclotide (English)

18 November 2016

MedlinePlus drug identifier

0 references

PatientsLikeMe treatment ID

0 references

1 reference

Global Substance Registration System

language of work or name

linaclotide (English)

18 November 2016

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

linaclotide (English)

4 October 2016

0 references

Microsoft Academic ID

0 references

1 reference

Global Substance Registration System

language of work or name

linaclotide (English)

18 November 2016

WikiProjectMed ID

0 references

Sitelinks

Wikipedia(13 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Linaclotide

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