FANAPANEL

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Synonyms
Status
Molecule Category Free-form
UNII E3AP71EM0O
EPA CompTox DTXSID7046093

Structure

InChI Key WZMQMKNCWDCCMT-UHFFFAOYSA-N
Smiles O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O
InChI
InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15F3N3O6P
Molecular Weight 409.26
AlogP 0.68
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 124.86
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
- 140 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 120-140 - - -
frog
- 31 - - -

Cross References

Resources Reference
ChEMBL CHEMBL19892
DrugBank DB12393
FDA SRS E3AP71EM0O
Guide to Pharmacology 7636
PDB ZK1
SureChEMBL SCHEMBL353357
ZINC ZINC000002004553
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