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CHEBI:66889 - peginesatide

Default Structure
ChEBI IDCHEBI:66889
ChEBI Namepeginesatide
Stars
DefinitionA heterodetic cyclic peptide composed of two identical 21-amino acid cyclic peptide units covalently bonded via a linker derived from iminodiacetic acid and β-alanine to a lysine-branched poly(ethylene glycol) chain. Used for the treatment of anemia due to chronic kidney disease in patients on dialysis.
Last Modified19 December 2017
SubmitterSteve
DownloadsMolfile
Formula2(C2H4O)n.C229H344N62O58S6
Net Charge0
Average Mass5174.155
Monoisotopic Mass5170.47230
SMILES*OCCOC(=O)NCCCC[C@H](NC(=O)OCCO*)C(=O)NCCC(=O)N(CC(=O)NCCCC[C@H](NC(=O)CN(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(C)=O)C(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N1)C(N)=O)CC(=O)NCCCC[C@H](NC(=O)CN(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(C)=O)C(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N1)C(N)=O
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
erythropeotin receptor agonist  An agonist that binds to and activates erythropeotin receptors.
Application:
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
ChEBI Ontology
Outgoing Relation(s)
peginesatide (CHEBI:66889) has role anti-anaemic agent (CHEBI:75835)
peginesatide (CHEBI:66889) has role erythropeotin receptor agonist (CHEBI:66894)
peginesatide (CHEBI:66889) is a heterodetic cyclic peptide (CHEBI:24533)
peginesatide (CHEBI:66889) is a poly(ethylene glycol) derivative (CHEBI:139322)
peginesatide (CHEBI:66889) is conjugate base of peginesatide(2+) (CHEBI:66897)
Incoming Relation(s)
peginesatide(2+) (CHEBI:66897) is conjugate acid of peginesatide (CHEBI:66889)
INNs  Source
peginesatidaWHO MedNet
peginesatideKEGG DRUG
Synonyms  Source
AF-37702ChEMBL
N(sup 6.21),N(sup 6.21')-(((N(sup 2),N(sup 6)-bis((omega-methoxypoly(oxyethylene))carbonyl)-L-lysyl-beta-alanyl)imino)bis(methylenecarbonyl))bis(acetylglycylglycyl-L-leucyl-L-tyrosyl-L-alanyl-L-cysteinyl-L-histidyl-L-methionylglycyl-L-prolyl-L-isoleucyl-L-threonyl-3-(naphthalen-1-yl)-L-alanyl-L-valyl-L-cysteinyl-L-glutaminyl-L-prolyl-L-leucyl-L-arginyl-N-methylglycyl-L-lysinamide) cyclic (6-15:6'-15')-bisdisulfideChemIDplus
Brand Name  Source
HematideChEMBL
Manual XrefsDatabases
D09946KEGG DRUG
PeginesatideWikipedia
Registry NumbersSources
CAS:913976-27-9KEGG DRUG
Citations