ELIPRODIL

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Synonyms
Status
Molecule Category UNKNOWN
UNII YW62A6TW29
EPA CompTox DTXSID1045744

Structure

InChI Key GGUSQTSTQSHJAH-UHFFFAOYSA-N
Smiles OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChI
InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23ClFNO
Molecular Weight 347.86
AlogP 4.47
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin None 800.0 nM
Compound was tested for inhibition of [3H]MK-801 binding to N-methyl-D-aspartate glutamate receptor at NR2B subunit in high affinity fraction of porcine brain membranes None 277.0 nM
Displacement of [3H]ifendropil from binding site of N-methyl-D-aspartate glutamate receptor was evaluated employing synaptosomal fraction of porcine hippocampal brain membranes None 82.6 nM
Inhibition of voltage -gated K+ currents was measured by whole cell voltage clamp recordings from dissociated rat superior cervical ganglion neurons at 10 uM Rattus 67.0 %
Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay Plasmodium falciparum 7G8 398.11 nM
Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay Plasmodium falciparum 316.23 nM
Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay Plasmodium falciparum 251.19 nM
Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting Homo sapiens 13.0 nM
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method Homo sapiens 13.0 nM
Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation counting analysis Homo sapiens 13.0 nM
Displacement of [3H]ifenprodil from recombinant human GluN2B expressed in mouse L(tk-) cell membranes incubated for 120 mins by microbeta scintillation counting analysis Homo sapiens 13.0 nM
Displacement of [3H]ifenprodil from recombinant human GluN1A/GluN2B receptor expressed in mouse L(tk-) cell membranes after 120 mins by microbeta scintillation counting method Homo sapiens 13.0 nM
Displacement of [3H]Ifenprodil from GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes incubated for 120 mins measured for 5 mins by scintillation counting method Homo sapiens 13.0 nM
Displacement of [3H]-ifenprodil from GluN2B receptor (unknown origin) expressed in mouse L (tk-) cell membranes after 120 mins by scintillation counting method Homo sapiens 13.0 nM
Displacement of [3H]ifenprodil from GluN1A/GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by solid scintillation counting method Homo sapiens 13.0 nM
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by scintillation counting method Homo sapiens 13.0 nM
Displacement of [3H] ifenprodil from GluN2B/GluN1a (unknown origin) expressed in mouse L(tk-) cell membranes incubated for 120 mins by scintillation counting method Homo sapiens 13.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 29.6 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 1.99 %
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 -0.01 % 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 0.02 % 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 0.02 % 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 -0.01 %
Displacement of [3H]ifenprodil from human recombinant GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by scintillation counting method Homo sapiens 13.0 nM
Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation counting method Homo sapiens 13.0 nM

Cross References

Resources Reference
ChEBI 91784
ChEMBL CHEMBL28564
DrugBank DB12869
FDA SRS YW62A6TW29
PubChem 60703
SureChEMBL SCHEMBL154047
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