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nirmatrelvir

CHEBI:CHEBI_170007

Definition

An azabicyclohexane that is (1R,5S)-3-azabicyclo[3.1.0]hexane substituted by {(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}aminoacyl, 3-methyl-N-(trifluoroacetyl)-L-valinamide, methyl and methyl groups at positions 2S, 3, 6 and 6, respectively. It is the first orally administered inhibitor of SARS-CoV-2 main protease developed by Pfizer and used in combination with ritonavir for the treatment of COVID-19.

Chemical Information

Molecular Formula
C23H32F3N5O4
Molecular Mass
499.535
Charge
0
SMILES
[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C
InChI
InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1
InChIKey
LIENCHBZNNMNKG-OJFNHCPVSA-N

Alternative Names

  • (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
  • nirmatrelvir
  • nirmatrelvirum
  • PF 07321332
  • PF-07321332
  • PF07321332

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
2587892
oboInOwl#hasDbXref
Wikipedia:Nirmatrelvir
core#notation
CHEBI:170007

Additional References

Wikipedia:Nirmatrelvir

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

has_treatment
http://purl.obolibrary.org/obo/DOID_0050305
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect8480
owl#annotatedSource
t130684
owl#someValuesFrom
t3839789
oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
2587892
oboInOwl#hasDbXref
Wikipedia:Nirmatrelvir
oboInOwl#id
CHEBI:170007
core#notation
CHEBI:170007
oboInOwl#hasAlternativeId
CHEBI:192699
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_147285
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class