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)
1. Yin Y, Zheng K, Eid N, Howard S, Jeong JH, Yi F, Guo J, Park CM, Bibian M, Wu W et al.. (2015)
Bis-aryl urea derivatives as potent and selective LIM kinase (Limk) inhibitors.
J Med Chem, 58 (4): 1846-61. [PMID:25621531]
2. Yu Q, Gratzke C, Wang Y, Herlemann A, Sterr CM, Rutz B, Ciotkowska A, Wang X, Strittmatter F, Stief CG et al.. (2018)
Inhibition of human prostate smooth muscle contraction by the LIM kinase inhibitors, SR7826 and LIMKi3.
Br J Pharmacol, 175 (11): 2077-2096. [PMID:29574791]