Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C111H149N27O28 |
Molecular Weight | 2309.5392 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 17 / 17 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CNC8=C7C=CC=C8)NC(=O)[C@H](CC9=CC=C(O)C=C9)NC(=O)[C@H](CC%10=CC=C(O)C=C%10)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(O)=O
InChI
InChIKey=VXXZQHUWZSRPAM-CDJUQFLLSA-N
InChI=1S/C111H149N27O28/c1-5-59(3)94(107(163)123-57-93(150)151)135-103(159)82(49-64-53-119-72-22-11-8-19-69(64)72)131-99(155)77(38-41-92(148)149)127-98(154)76(37-40-91(146)147)125-89(144)55-121-96(152)74(24-13-14-42-112)124-90(145)56-122-106(162)85-26-16-44-137(85)110(166)86-27-17-45-138(86)109(165)78(36-39-87(114)142)129-97(153)75(25-15-43-117-111(115)116)128-108(164)95(60(4)6-2)136-104(160)83(50-65-54-120-73-23-12-9-20-70(65)73)133-105(161)84(58-139)134-102(158)81(48-63-52-118-71-21-10-7-18-68(63)71)132-101(157)80(47-62-30-34-67(141)35-31-62)130-100(156)79(126-88(143)51-113)46-61-28-32-66(140)33-29-61/h7-12,18-23,28-35,52-54,59-60,74-86,94-95,118-120,139-141H,5-6,13-17,24-27,36-51,55-58,112-113H2,1-4H3,(H2,114,142)(H,121,152)(H,122,162)(H,123,163)(H,124,145)(H,125,144)(H,126,143)(H,127,154)(H,128,164)(H,129,153)(H,130,156)(H,131,155)(H,132,157)(H,133,161)(H,134,158)(H,135,159)(H,136,160)(H,146,147)(H,148,149)(H,150,151)(H4,115,116,117)/t59-,60-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-/m0/s1
Molecular Formula | C111H149N27O28 |
Molecular Weight | 2309.5392 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 17 / 17 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Edratide (hCDR1 or TV-4710) is a peptide based on the sequences of the complementarity determining region (CDR) 1 of monoclonal anti-DNA antibody. The capacity of the peptide to bind to major histocompatibility complex class II molecules correlated with the proliferative responses. Edratide is being developed for the treatment of SLE (Systemic Lupus Erythematosus). Edratide ameliorates the SLE-related autoimmune process by specific upstream immunomodulation through the generation of regulatory T cells.
CNS Activity
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21129786
Curator's Comment: Edratide is CNS active in animals. No human data available.
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
Modulation of murine systemic lupus erythematosus with peptides based on complementarity determining regions of a pathogenic anti-DNA monoclonal antibody. | 1997 Apr 29 |
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Safety and efficacy of hCDR1 (Edratide) in patients with active systemic lupus erythematosus: results of phase II study. | 2015 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:25:05 GMT 2025
by
admin
on
Mon Mar 31 18:25:05 GMT 2025
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Record UNII |
38PLP07BKC
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Record Status |
FAILED
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Record Version |
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NCI_THESAURUS |
C308
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C74206
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CHEMBL2107743
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433922-67-9
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QQ-80
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100000175595
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DTXSID60195840
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38PLP07BKC
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DB15272
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8335
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C516151
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16214485
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