PIK-75   Click here for help

GtoPdb Ligand ID: 8012

Synonyms: imidazopyridine derivative 8c [PMID 17601739] [1] | PIK 75 | PIK75
PDB Ligand
Compound class: Synthetic organic
Comment: The discovery of PIK-75 is described by Hayakawa et al. (2007) [1], where it is compound 8c.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 118.56
Molecular weight 450.99
XLogP 3.82
No. Lipinski's rules broken 0
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Canonical SMILES Brc1ccc2n(c1)c(C=NN(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2
Isomeric SMILES Brc1ccc2n(c1)c(/C=N/N(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2
InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
Bioactivity Comments
Note that bioactivity data was produced using the hydrochloride salt of PIK-75 (PubChem CID 45265864). Results from a full kinase panel screen are available in supplemental Table S1 by Knight et al. (2006) [2].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha Primary target of this compound Hs Inhibitor Inhibition 8.2 – 9.5 pIC50 - 1-2
pIC50 9.5 (IC50 3x10-10 M) [1]
pIC50 8.2 (IC50 5.8x10-9 M) [2]
protein kinase, DNA-activated, catalytic subunit Hs Inhibitor Inhibition 8.7 pIC50 - 2
pIC50 8.7 (IC50 2x10-9 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma Hs Inhibitor Inhibition 7.1 – 7.4 pIC50 - 1-2
pIC50 7.4 (IC50 4x10-8 M) [1]
pIC50 7.1 (IC50 7.6x10-8 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta Hs Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 5.1x10-7 M) [2]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta Hs Inhibitor Inhibition 5.9 – 6.1 pIC50 - 1-2
pIC50 6.1 (IC50 8.5x10-7 M) [1]
pIC50 5.9 (IC50 1.3x10-6 M) [2]