Ro20-1724   Click here for help

GtoPdb Ligand ID: 5258

Synonyms: RO-201724
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 59.59
Molecular weight 278.16
XLogP 1.96
No. Lipinski's rules broken 0
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Canonical SMILES CCCCOc1cc(ccc1OC)CC1CNC(=O)N1
Isomeric SMILES CCCCOc1cc(ccc1OC)CC1CNC(=O)N1
InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
phosphodiesterase 4A Hs Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 (IC50 3.16x10-7 M) [1]
phosphodiesterase 4B Hs Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.98x10-7 M) [1]
phosphodiesterase 4D Hs Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.31x10-7 M) [1]
phosphodiesterase 4C Hs Inhibitor Inhibition 5.4 pIC50 - 1
pIC50 5.4 (IC50 3.98x10-6 M) [1]