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CHEBI:757696 - zelicapavir

Default Structure
ChEBI IDCHEBI:757696
ChEBI Namezelicapavir
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC27H22F3N7O3
Net Charge0
Average Mass549.513
Monoisotopic Mass549.17362
SMILESO=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ncc(C(F)(F)F)cc2N2CCOCC2)o1
InChIInChI=1S/C27H22F3N7O3/c28-27(29,30)17-14-20(37-10-12-39-13-11-37)22(31-15-17)25-35-36-26(40-25)34-23-24(38)32-19-9-5-4-8-18(19)21(33-23)16-6-2-1-3-7-16/h1-9,14-15,23H,10-13H2,(H,32,38)(H,34,36)/t23-/m1/s1
InChIKeyVGGNPZNYTJXPEW-HSZRJFAPSA-N
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
Application:
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
ChEBI Ontology
Outgoing Relation(s)
zelicapavir (CHEBI:757696) has role antiviral agent (CHEBI:22587)
zelicapavir (CHEBI:757696) is a benzodiazepine (CHEBI:22720)
INN  Source
zelicapavirWHO MedNet
Synonym  Source
Edp-938ChEMBL
Citations