KA1010   Click here for help

GtoPdb Ligand ID: 9663

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: KA1010 is a selective HDAC6 inhibitor that acts as an immunosuppressant [1]. It was used as a tool to define the role of HDAC6 in the the human alloimmune response, and identified HDAC6 as a drug target with potential use in transplantation.
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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 10
Topological polar surface area 78.35
Molecular weight 314.17
XLogP 3.28
No. Lipinski's rules broken 0
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Canonical SMILES ONC(=O)CCCCCCN(c1ccccn1)c1ccccn1
Isomeric SMILES ONC(=O)CCCCCCN(c1ccccn1)c1ccccn1
InChI InChI=1S/C17H22N4O2/c22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16/h4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22)
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Molecular structure representations generated using Open Babel