MIBAMPATOR

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Synonyms
Status
Molecule Category Free-form
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

Pharmacology

Mechanism of Action Action Reference
Glutamate receptor ionotropic AMPA positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
150 - - - -

Target Conservation

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

Cross References

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