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CHEBI:747606 - Icotrokinra

Default Structure
ChEBI IDCHEBI:747606
ChEBI NameIcotrokinra
Stars
DefinitionAn interleukin-23 receptor antagonist peptide indicated for the treatment of moderate-to-severe plaque psoriasis.
Last Modified28 April 2026
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC90H120N20O22S2
Net Charge0
Average Mass1898.202
Monoisotopic Mass1896.83275
SMILES[H][C@@]1([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)SSC(C)(C)[C@@H](C(=O)N[C@@H](Cc2ccc(OCCN)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NC2(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3cccnc3)C(=O)N(C)CC(N)=O)CCOCC2)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc2cnc3c(C)cccc23)NC1=O
InChIInChI=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
InChIKeyIVFNYXYPMJQSGF-QMRCQSNESA-N
ChEBI Ontology
Outgoing Relation(s)
Icotrokinra (CHEBI:747606) is a macrocycle (CHEBI:51026)
Manual XrefsDatabases
D13108KEGG DRUG
DB21724DrugBank
Registry NumbersSources
CAS:2763602-16-8KEGG DRUG