EDRATIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: 38PLP07BKC

Structure
InChI Key ZKGHZWHJOPXFIK-KMICFFLZSA-N
Smile CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)CC
InChI
InChI=1S/C112H151N27O27/c1-6-60(4)95(108(163)124-59-94(150)151)136-105(160)85(52-66-56-121-75-25-14-11-22-71(66)75)134-101(156)79(40-43-93(148)149)129-100(155)78(39-42-92(146)147)126-90(144)57-122-97(152)76(26-15-16-44-113)125-91(145)58-123-107(162)86-28-18-46-138(86)111(166)87-29-19-47-139(87)110(165)80(38-41-88(115)142)131-99(154)77(27-17-45-118-112(116)117)130-109(164)96(61(5)7-2)137-106(161)84(51-65-55-120-74-24-13-10-21-70(65)74)133-98(153)72(8-3)128-104(159)83(50-64-54-119-73-23-12-9-20-69(64)73)135-103(158)82(49-63-32-36-68(141)37-33-63)132-102(157)81(127-89(143)53-114)48-62-30-34-67(140)35-31-62/h9-14,20-25,30-37,54-56,60-61,72,76-87,95-96,119-121,140-141H,6-8,15-19,26-29,38-53,57-59,113-114H2,1-5H3,(H2,115,142)(H,122,152)(H,123,162)(H,124,163)(H,125,145)(H,126,144)(H,127,143)(H,128,159)(H,129,155)(H,130,164)(H,131,154)(H,132,157)(H,133,153)(H,134,156)(H,135,158)(H,136,160)(H,137,161)(H,146,147)(H,148,149)(H,150,151)(H4,116,117,118)/t60-,61-,72-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C112H151N27O27
Molecular Weight 2307.6
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 433922-67-9
ChEMBL CHEMBL2107743
FDA SRS 38PLP07BKC
PubChem 16214485
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