(S)-5-fluorowillardiine   Click here for help

GtoPdb Ligand ID: 4070

PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 118.18
Molecular weight 217.05
XLogP -2.84
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C(Cn1cc(F)c(=O)[nH]c1=O)N
Isomeric SMILES OC(=O)[C@H](Cn1cc(F)c(=O)[nH]c1=O)N
InChI InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GluA1 Hs Agonist Full agonist - - -
GluA2 Hs Agonist Full agonist - - -
GluA3 Hs Agonist Full agonist - - -
GluA4 Hs Agonist Full agonist - - -