GtoPdb is requesting financial support from commercial users. Please see our sustainability page for more information.

icotrokinra   Click here for help

GtoPdb Ligand ID: 14181

Synonyms: JNJ-2113 | JNJ-77242113 | JNJ77242113
Immunopharmacology Ligand
Compound class: Peptide
Comment: Icotrokinra (JNJ-77242113) is an oral IL-23 receptor peptide inhibitor (antagonist) [1-2].
Click here for help

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.

✖

View interactive charts of activity data across species
2D Structure
Click here for help

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.

✖
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help

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/)

✖
Canonical SMILES CC1=CC=CC2=C1NC=C2C[C@H]3C(=O)N[C@@H](CCCCNC(=O)C)C(=O)N[C@H](C(=O)N[C@@H](CC4=CC=C(C=C4)OCCN)C(=O)N[C@@H](CC5=CC6=C(C=CC=C6)C=C5)C(=O)NC7(CCOCC7)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC8=CC=CN=C8)C(=O)N(C)CC(=O)N)C(C)(C)SSC(C)(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC(=O)C
Isomeric SMILES CC1=C2C(=CC=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(SSC([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)[C@@H](C)O)CC(=O)N)NC(=O)C)(C)C)(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)OCCN)C(=O)N[C@@H](CC5=CC6=CC=CC=C6C=C5)C(=O)NC7(CCOCC7)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC8=CN=CC=C8)C(=O)N(C)CC(=O)N)CCCCNC(=O)C
InChI InChI=1S/C90H120N20O22S2/c1-48-16-14-20-59-57(46-97-72(48)59)42-64-79(122)99-60(21-12-13-34-96-50(3)112)77(120)108-75(89(7,8)134-133-88(5,6)74(98-51(4)113)84(127)104-66(44-69(93)115)81(124)107-73(49(2)111)83(126)102-64)85(128)103-62(39-52-23-26-58(27-24-52)132-37-32-91)78(121)100-63(40-53-22-25-55-18-10-11-19-56(55)38-53)82(125)109-90(30-35-131-36-31-90)87(130)106-61(28-29-71(117)118)76(119)101-65(43-68(92)114)80(123)105-67(41-54-17-15-33-95-45-54)86(129)110(9)47-70(94)116/h10-11,14-20,22-27,33,38,45-46,49,60-67,73-75,97,111H,12-13,21,28-32,34-37,39-44,47,91H2,1-9H3,(H2,92,114)(H2,93,115)(H2,94,116)(H,96,112)(H,98,113)(H,99,122)(H,100,121)(H,101,119)(H,102,126)(H,103,128)(H,104,127)(H,105,123)(H,106,130)(H,107,124)(H,108,120)(H,109,125)(H,117,118)/t49-,60+,61+,62+,63+,64+,65+,66+,67+,73+,74-,75-/m1/s1
InChI Key IVFNYXYPMJQSGF-QMRCQSNESA-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/)
No information available.
Summary of Clinical Use Click here for help
JNJ-77242113 is being evaluated for safety and efficacy as a therapeutic for inflammatory autoimmune conditions, including psoriasis and ulcerative colitis.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT05223868 A Study of JNJ-77242113 in Participants With Moderate-to-severe Plaque Psoriasis Phase 2 Interventional Janssen Research & Development, LLC 1
NCT06049017 A Study of JNJ-77242113 in Participants With Moderately to Severely Active Ulcerative Colitis Phase 2 Interventional Janssen Research & Development, LLC
NCT06934226 A Study to Assess Efficacy and Safety of JNJ-77242113 Compared to Placebo and Ustekinumab in Participants With Moderate to Severe Plaque Psoriasis Phase 3 Interventional Janssen Research & Development, LLC
NCT06878404 A Study to Evaluate the Efficacy and Safety of JNJ-77242113 (Icotrokinra) in Biologic-naïve Participants With Active Psoriatic Arthritis Phase 3 Interventional Janssen Research & Development, LLC
NCT06807424 A Study to Evaluate the Efficacy and Safety of Icotrokinra (JNJ-77242113) in Biologic-experienced Participants With Active Psoriatic Arthritis Phase 3 Interventional Janssen Research & Development, LLC