zegruvirimat tosylate (CHEBI:760341)

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CHEBI:760341 - zegruvirimat tosylate

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ChEBI ID	CHEBI:760341
ChEBI Name	zegruvirimat tosylate
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C49H70N4O5S.C7H8O3S
Net Charge	0
Average Mass	999.394
Monoisotopic Mass	998.52611
SMILES	Cc1ccc(S(=O)(=O)O)cc1.[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(NCCN5CCS(=O)(=O)CC5)CC[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)C(C3=CC[C@@](COc4ncccc4C#N)(C(=O)O)CC3)=CC[C@]21C
InChI	InChI=1S/C49H70N4O5S.C7H8O3S/c1-33(2)36-14-21-49(52-25-26-53-27-29-59(56,57)30-28-53)23-22-46(6)38(41(36)49)10-11-40-45(5)17-15-37(44(3,4)39(45)16-18-47(40,46)7)34-12-19-48(20-13-34,43(54)55)32-58-42-35(31-50)9-8-24-51-42;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,12,15,24,36,38-41,52H,1,10-11,13-14,16-23,25-30,32H2,2-7H3,(H,54,55);2-5H,1H3,(H,8,9,10)/t36-,38+,39-,40+,41+,45-,46+,47+,48+,49-;/m0./s1
InChIKey	SEHZJXUCYMLELM-JREOKXOLSA-N

Roles Classification

Biological Role:

anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.

ChEBI Ontology

Outgoing Relation(s)
	zegruvirimat tosylate (CHEBI:760341) has role anti-HIV agent (CHEBI:64946)
	zegruvirimat tosylate (CHEBI:760341) is a triterpenoid (CHEBI:36615)

Synonyms	Source
GSK-3739937G	ChEMBL
GSK3739937G	ChEMBL
GSK3739937 tosylate	ChEMBL
GSK-3739937 TOSYLATE	ChEMBL
VH3739937 tosylate	ChEMBL
VH-3739937 TOSYLATE	ChEMBL