RS-25344   Click here for help

GtoPdb Ligand ID: 6557

Synonyms: RS 25344
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 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 115.08
Molecular weight 375.1
XLogP 2.96
No. Lipinski's rules broken 0
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Canonical SMILES O=N(=O)c1cccc(c1)n1c(=O)n(Cc2ccncc2)c(=O)c2c1nccc2
Isomeric SMILES O=N(=O)c1cccc(c1)n1c(=O)n(Cc2ccncc2)c(=O)c2c1nccc2
InChI InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
phosphodiesterase 4D Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 [1]
phosphodiesterase 4C Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 [1]
phosphodiesterase 4A Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 [1]
phosphodiesterase 4B Hs Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 [1]