obeldesivir   Click here for help

GtoPdb Ligand ID: 12901

Synonyms: ATV-006 | ATV006 | compound 5c [PMID: 34450570] | GS-5245 | GS5245
Compound class: Synthetic organic
Comment: Obeldesivir (GS-5245) is an investigational nucleoside antiviral compound [1]. It is an ester prodrug of the predominant remdesivir metabolite GS-441524. As an inhibitor of viral RNA-dependent RNA polymerase (RdRP) it is likely to have activity against a range of filoviruses, paramyxoviruses, and coronaviruses, including SARS-CoV-2.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 153.76
Molecular weight 361.35
XLogP -1.68
No. Lipinski's rules broken 0
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Canonical SMILES CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@](C#N)(C2=CC=C3C(=NC=NN32)N)O1)O)O
Isomeric SMILES CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O
InChI InChI=1S/C16H19N5O5/c1-8(2)15(24)25-5-10-12(22)13(23)16(6-17,26-10)11-4-3-9-14(18)19-7-20-21(9)11/h3-4,7-8,10,12-13,22-23H,5H2,1-2H3,(H2,18,19,20)/t10-,12-,13-,16+/m1/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
12459 obeldesivir
Synonyms Click here for help
ATV-006 | ATV006 | compound 5c [PMID: 34450570] | GS-5245 | GS5245
Database Links Click here for help
CAS Registry No. 2647441-36-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL4863829
GtoPdb PubChem SID 485206022
PubChem CID 162513664
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