MIBAMPATOR

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Synonyms
Status
Molecule Category UNKNOWN
UNII A9V5BW73UU
EPA CompTox DTXSID20190977

Structure

InChI Key ULRDYYKSPCRXAJ-KRWDZBQOSA-N
Smiles CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChI
InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30N2O4S2
Molecular Weight 438.62
AlogP 2.88
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 92.34
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Bioactivity

Mechanism of Action Action Reference
Glutamate receptor ionotropic AMPA positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed
Protein: Glutamate receptor ionotropic AMPA
Description: Glutamate receptor 1
Organism : Homo sapiens
P42261 ENSG00000155511
Protein: Glutamate receptor ionotropic AMPA
Description: Glutamate receptor 2
Organism : Homo sapiens
P42262 ENSG00000120251
Protein: Glutamate receptor ionotropic AMPA
Description: Glutamate receptor 3
Organism : Homo sapiens
P42263 ENSG00000125675
Protein: Glutamate receptor ionotropic AMPA
Description: Glutamate receptor 4
Organism : Homo sapiens
P48058 ENSG00000152578
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
150 - - - -
Assay Description Organism Bioactivity Reference
Inhibition of GluR4 expressed in HEK293 cells None 150.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 90.06 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 3.574 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.75 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.75 %

Cross References

Resources Reference
ChEMBL CHEMBL1277001
DrugBank DB12717
FDA SRS A9V5BW73UU
PDB 8SO
PubChem 9889366
SureChEMBL SCHEMBL3045499
ZINC ZINC000000593414
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