abimtrelvir   Click here for help

GtoPdb Ligand ID: 11870

Compound class: Synthetic organic
Comment: Abimtrelvir is a newly proposed INN for an antiviral that was revealed in January 2022, in the COVID special section of Proposed List 126. It is therefore assumed to target SARS-CoV-2, and to be a potential drug for the treatment of patients with SARS-CoV-2 infection (COVID-19). Abimtrelvir appears to be from the same chemical series as ensitrelvir.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 81.62
Molecular weight 527.11
XLogP 5.07
No. Lipinski's rules broken 1
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Canonical SMILES Cc1cncc(c1)n1c(=O)[nH]/c(=N\c2cc3cn(nc3cc2Cl)C)/n(c1=O)Cc1cc(F)c(c(c1)F)F
Isomeric SMILES Clc1c(cc2cn(nc2c1)C)/N=c/1\[nH]c(=O)n(c(=O)n1Cc1cc(c(c(c1)F)F)F)c1cncc(c1)C
InChI InChI=1S/C24H17ClF3N7O2/c1-12-3-15(9-29-8-12)35-23(36)31-22(30-20-6-14-11-33(2)32-19(14)7-16(20)25)34(24(35)37)10-13-4-17(26)21(28)18(27)5-13/h3-9,11H,10H2,1-2H3,(H,30,31,36)
Classification Click here for help
Compound class Synthetic organic
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Database Links Click here for help
CAS Registry No. 2647530-75-2 (source: WHO INN list)
GtoPdb PubChem SID 461663426
Search Google for chemical match using the InChIKey FTIFIZZEWIBTMR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey FTIFIZZEWIBTMR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FTIFIZZEWIBTMR-UHFFFAOYSA-N