RK-287107   Click here for help

GtoPdb Ligand ID: 10673

Synonyms: RK287107
PDB Ligand
Compound class: Synthetic organic
Comment: RK-287107 is an orally bioavilable, non-selective tankyrase inhibitor [1]. It blocks growth of β-catenin-dependent colorectal cancer xenograft tumours in preclinical models.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 72.46
Molecular weight 416.2
XLogP 3.5
No. Lipinski's rules broken 0
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Canonical SMILES OCCN1CC2(c3c1cc(F)cc3F)CCN(CC2)c1nc2CCCCc2c(=O)[nH]1
Isomeric SMILES OCCN1CC2(c3c1cc(F)cc3F)CCN(CC2)c1nc2CCCCc2c(=O)[nH]1
InChI InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
tankyrase 2 Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1.06x10-8 M) [1]
tankyrase Hs Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.43x10-8 M) [1]