ensitrelvir 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
antivirals 5727 2647530-73-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ensitrelvir
  • ensitrelvir fumarate
  • ensitrelvir fumaric acid
  • xocova
  • S-217622
Ensitrelvir is an orally active 3C-like protease inhibitor and it was approved for emergency use in Japan in November 2022. Ensitrelvir has reached Phase III clinical trials and is being evaluated for its efficacy and safety in patients with mild-to-moderate COVID-19.
  • Molecular weight: 531.88
  • Formula: C22H17ClF3N9O2
  • CLOGP:
  • LIPINSKI: 2
  • HAC: 11
  • HDO: 1
  • TPSA: 113.54
  • ALOGS:
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
Nov. 22, 2022 PMDA Shionogi & Co., Ltd.

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

None

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Disease caused by Severe acute respiratory syndrome coronavirus 2 indication 840539006




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Replicase polyprotein 1ab Enzyme INHIBITOR IC50 7.31 SCIENTIFIC LITERATURE SCIENTIFIC LITERATURE

External reference:

IDSource
7YY PDB_CHEM_ID
C000722354 MESH_SUPPLEMENTAL_RECORD_UI
11871 IUPHAR_LIGAND_ID
C5690425 UMLSCUI
12284 INN_ID
2757470-18-9 SECONDARY_CAS_RN
162533924 PUBCHEM_CID
D12619 KEGG_DRUG
PX665RAA3H UNII

Pharmaceutical products:

None