EDRATIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C111H149N27O28
Molecular Weight	2309.5349
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

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

HIDE SMILES / InChI

Molecular Formula	C111H149N27O28
Molecular Weight	2309.5349
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	9
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9114040 | https://www.ncbi.nlm.nih.gov/pubmed/26301100 | http://www.xtlbio.com/pipeline/edratide-hcdr1/

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

Originator

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	9114040
Safety and efficacy of hCDR1 (Edratide) in patients with active systemic lupus erythematosus: results of phase II study.	2015	26301100

Sample Use Guides

In Vivo Use Guide

Pgase II study: placebo or Edratide was administered subcutaneously weekly at doses of 0.5, 1.0 or 2.5 mg.

Route of Administration: Other

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:19:35 UTC 2023` Edited by `admin` on `Fri Dec 15 16:19:35 UTC 2023`
Record UNII	38PLP07BKC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EDRATIDE

Official Name

English

TV-4710

Code

English

edratide [INN]

Common Name

English

EDRATIDE [USAN]

Common Name

English

L-GLYCYL-L-TYROSYL- L-TYROSYL- L-TRYPTOPHYL-L-SERYL-L-TRYPTOPHYL-L-ISOLEUCYL-L-ARGINYL-L-GLUTAMINYL-L-PROLYL-L-PROLYL-L-GLYCYL-L-LYSYL-L-GLYCYL-L-GLUTAMYL-L-GLUTAMYL-L-TRYPTOPHYL-L-ISOLEUCYL-L-GLYCINE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C308