SR7826   Click here for help

GtoPdb Ligand ID: 9840

Synonyms: SR 7826
Compound class: Synthetic organic
Comment: Potent and selective LIMK inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 94.14
Molecular weight 387.17
XLogP 2.71
No. Lipinski's rules broken 0
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Canonical SMILES OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2
Isomeric SMILES OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2
InChI InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
LIM domain kinase 1 Hs Inhibitor Inhibition 7.4 pIC50 - 1-2
pIC50 7.4 (IC50 4.3x10-8 M) [1-2]