FORIGERIMOD ACETATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: YU54FAR97X

Structure
InChI Key AAYJNPGTWYJOET-VURLEEIPSA-N
Smile CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC)C(C)C
InChI
InChI=1S/C117H181N34O32PS.C2H4O2/c1-9-64(5)94(149-97(161)75(120)24-18-47-128-115(121)122)112(176)144-85(56-71-57-127-62-133-71)106(170)139-80(44-51-185-8)103(167)148-93(63(3)4)110(174)143-83(54-69-32-38-73(154)39-33-69)105(169)146-87(60-152)108(172)138-77(25-14-16-45-118)100(164)137-78(28-20-49-130-117(125)126)101(165)147-88(61-183-184(180,181)182)99(163)132-58-90(156)135-81(26-15-17-46-119)113(177)151-50-21-29-89(151)109(173)140-76(27-19-48-129-116(123)124)98(162)131-59-91(157)136-82(53-68-30-36-72(153)37-31-68)104(168)134-66(7)96(160)142-84(52-67-22-12-11-13-23-67)107(171)150-95(65(6)10-2)111(175)141-79(42-43-92(158)159)102(166)145-86(114(178)179)55-70-34-40-74(155)41-35-70;1-2(3)4/h11-13,22-23,30-41,57,62-66,75-89,93-95,152-155H,9-10,14-21,24-29,42-56,58-61,118-120H2,1-8H3,(H,127,133)(H,131,162)(H,132,163)(H,134,168)(H,135,156)(H,136,157)(H,137,164)(H,138,172)(H,139,170)(H,140,173)(H,141,175)(H,142,160)(H,143,174)(H,144,176)(H,145,166)(H,146,169)(H,147,165)(H,148,167)(H,149,161)(H,150,171)(H,158,159)(H,178,179)(H4,121,122,128)(H4,123,124,129)(H4,125,126,130)(H2,180,181,182);1H3,(H,3,4)/t64-,65-,66-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,93-,94-,95-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C119H185N34O34PS
Molecular Weight 2699.03
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

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Heat shock cognate 71 kDa protein inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lupus Erythematosus, Systemic 3 D008180 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989801
FDA SRS YU54FAR97X
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