AZ505   Click here for help

GtoPdb Ligand ID: 7021

Synonyms: AZ 505 | AZ-505
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 6
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 102.93
Molecular weight 576.23
XLogP 4.37
No. Lipinski's rules broken 1
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Canonical SMILES O=C1COc2c(N1)c(O)ccc2CCNCCN(C(=O)CCNCCc1ccc(c(c1)Cl)Cl)C1CCCCC1
Isomeric SMILES O=C1COc2c(N1)c(O)ccc2CCNCCN(C(=O)CCNCCc1ccc(c(c1)Cl)Cl)C1CCCCC1
InChI InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)
Bioactivity Comments
AZ505 inhibits SMYD2 but not several other methyltransferases tested [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
SET and MYND domain containing 2 Hs Inhibitor Inhibition 6.9 pIC50 - 1
pIC50 6.9 (IC50 1.2x10-7 M) [1]