IFENPRODIL

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Synonyms
Status
Molecule Category Free-form
ATC C04AX28
UNII R8OE3P6O5S
EPA CompTox DTXSID2045656

Structure

InChI Key UYNVMODNBIQBMV-UHFFFAOYSA-N
Smiles CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChI
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27NO2
Molecular Weight 325.45
AlogP 3.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 43.7
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - - 2.71-19.8 -
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 13.3-340 - 10-29 0.94-95
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 100 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 100-110 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 238-610 - - -
Membrane receptor
- 100-110 - 2-4.9 -
Other membrane protein
- - - 1.02-125 -
Unclassified protein
- - - 98-98 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 1.02-125 -
Homo sapiens
206-420 0.73-590 - 10-25.8 87-95
Mus musculus
- 250-590 - - -
Rattus norvegicus
- 20-73 - 2-98.3 -

Related Entries

Cross References

Resources Reference
ChEBI 93829
ChEMBL CHEMBL305187
DrugBank DB08954
DrugCentral 1419
FDA SRS R8OE3P6O5S
Guide to Pharmacology 5472
PubChem 3689
SureChEMBL SCHEMBL34010
CONTENTS