ELIPRODIL

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Synonyms
Status
Molecule Category Free-form
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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 82.6-277 - 13-13 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 800 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 13-13 -
Plasmodium falciparum
- 251.19-316.23 - - -
Plasmodium falciparum 7G8
- 398.11 - - -
Rattus
- - - - 67

Cross References

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