zilucoplan sodium (CHEBI:229660)

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CHEBI:229660 - zilucoplan sodium

ChEBI ID	CHEBI:229660
ChEBI Name	zilucoplan sodium
Stars
Definition	An organic sodium salt that is the tetrasodium salt of zilucoplan. It is a complement component 5 inhibitor approved for the treatment of generalized myasthenia gravis in adult patients who are anti-acetylcholine receptor antibody positive.
Last Modified	16 April 2024
Submitter	Adnan
Downloads	Molfile

Formula	C172H274N24O55.5Na
Net Charge	+1
Average Mass	3673.147
Monoisotopic Mass	3670.88644
SMILES	CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1cnc2ncccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)(C)C)C1CCCCC1)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI	InChI=1S/C172H278N24O55.5Na/c1-9-10-11-12-13-14-15-16-17-18-19-20-27-44-146(202)182-136(170(226)227)53-56-144(200)177-64-67-229-69-71-231-73-75-233-77-79-235-81-83-237-85-87-239-89-91-241-93-95-243-97-99-245-101-103-247-105-107-249-109-111-251-113-112-250-110-108-248-106-104-246-102-100-244-98-96-242-94-92-240-90-88-238-86-84-236-82-80-234-78-76-232-74-72-230-70-68-228-66-59-145(201)175-60-31-29-41-135(169(224)225)186-165(220)152(126-37-25-22-26-38-126)193-162(217)142-43-34-65-196(142)168(223)140(116-125-47-51-129(199)52-48-125)190-157(212)133(54-57-148(204)205)184-161(216)139(117-127-120-180-154-130(127)39-32-62-178-154)188-159(214)138(115-124-45-49-128(198)50-46-124)189-166(221)153(172(5,6)7)194-163(218)143(119-150(208)209)195(8)167(222)141-118-147(203)176-61-30-28-40-131(181-122(4)197)158(213)192-151(121(2)3)164(219)185-134(55-58-149(206)207)156(211)183-132(42-33-63-179-171(173)174)155(210)187-137(160(215)191-141)114-123-35-23-21-24-36-123;;;;;/h21,23-24,32,35-36,39,45-52,62,120-121,126,131-143,151-153,198-199H,9-20,22,25-31,33-34,37-38,40-44,53-61,63-119H2,1-8H3,(H,175,201)(H,176,203)(H,177,200)(H,178,180)(H,181,197)(H,182,202)(H,183,211)(H,184,216)(H,185,219)(H,186,220)(H,187,210)(H,188,214)(H,189,221)(H,190,212)(H,191,215)(H,192,213)(H,193,217)(H,194,218)(H,204,205)(H,206,207)(H,208,209)(H,224,225)(H,226,227)(H4,173,174,179);;;;;/q;5*+1/p-4/t131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,151-,152-,153+;;;;;/m0...../s1
InChIKey	USORCWBBSVPUBL-TYSHKVMESA-J

Roles Classification

Biological Roles:

complement component 5 inhibitor Any inhibitor of complement component 5.

immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.

Application:

ChEBI Ontology

Outgoing Relation(s)
	zilucoplan sodium (CHEBI:229660) has part zilucoplan(4−) (CHEBI:229671)
	zilucoplan sodium (CHEBI:229660) has role complement component 5 inhibitor (CHEBI:229668)
	zilucoplan sodium (CHEBI:229660) has role immunosuppressive agent (CHEBI:35705)
	zilucoplan sodium (CHEBI:229660) is a organic sodium salt (CHEBI:38700)

Synonyms	Source
acetyl-[L-lysyl¹-L-valyl²-L-glutamyl³-L-arginyl⁴-L-phenylalanyl⁵-L-aspartyl⁶]-N-methyl-L-aspartyl⁷-L tert-leucyl⁸-L-tyrosyl⁹-L-7-azatryptophyl¹⁰-L-glutamyl¹¹-L-tyrosyl¹²-L-prolyl¹³-L-cyclohexylglycyl¹⁴-[L-lysyl¹⁵, Nε-palmitoyl-γ-L-glutamyl-(1-amino-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaoxapentaheptacontan-75-oyl)], cyclic (lactam 1-6), tetra sodium	ChEBI
zilucoplan tetrasodium	ChEBI

Synonyms

Source

acetyl-[L-lysyl¹-L-valyl²-L-glutamyl³-L-arginyl⁴-L-phenylalanyl⁵-L-aspartyl⁶]-N-methyl-L-aspartyl⁷-L tert-leucyl⁸-L-tyrosyl⁹-L-7-azatryptophyl¹⁰-L-glutamyl¹¹-L-tyrosyl¹²-L-prolyl¹³-L-cyclohexylglycyl¹⁴-[L-lysyl¹⁵, Nε-palmitoyl-γ-L-glutamyl-(1-amino-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaoxapentaheptacontan-75-oyl)], cyclic (lactam 1-6), tetra sodium

ChEBI

zilucoplan tetrasodium

ChEBI

Brand Name	Source
Zilbrysq	KEGG DRUG

Manual Xrefs	Databases
D12356	KEGG DRUG

Citations