MPI60   Click here for help

GtoPdb Ligand ID: 12891

Compound class: Synthetic organic
Comment: MPI60 is a SARS-CoV-2 Mpro inhibitor [1]. It has antiviral activity in an in vitro plaque formation assay measuring infection of Vero E6 cells with a strain of SARS-CoV-2 (EC50 370 nM).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 104.81
Molecular weight 441.52
XLogP 1.99
No. Lipinski's rules broken 0
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Canonical SMILES C1=CC=C(C=C1)COC(=O)N2CC3(CCCC3)CC2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C([H])=O
Isomeric SMILES O=C(N1CC2(CCCC2)CC1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4
InChI InChI=1S/C24H31N3O5/c28-14-19(12-18-8-11-25-21(18)29)26-22(30)20-13-24(9-4-5-10-24)16-27(20)23(31)32-15-17-6-2-1-3-7-17/h1-3,6-7,14,18-20H,4-5,8-13,15-16H2,(H,25,29)(H,26,30)/t18-,19-,20?/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Benzyl 3-(((S)-1-Oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Database Links Click here for help
GtoPdb PubChem SID 485206012
Search Google for chemical match using the InChIKey OYFTZDRWXGWCFB-NFBCFJMWSA-N
Search Google for chemicals with the same backbone OYFTZDRWXGWCFB
UniChem Compound Search for chemical match using the InChIKey OYFTZDRWXGWCFB-NFBCFJMWSA-N
UniChem Connectivity Search for chemical match using the InChIKey OYFTZDRWXGWCFB-NFBCFJMWSA-N