KA1010

Ligand id: 9663

Name: KA1010

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-(dipyridin-2-ylamino)-N-hydroxyheptanamide
Comments
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.
Database Links
BindingDB Ligand 124199
ChEMBL Ligand CHEMBL3675757
GtoPdb PubChem SID 348353622
PubChem CID 46852450
Search Google for chemical match using the InChIKey QKTORDWLHYWRJF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QKTORDWLHYWRJF
Search UniChem for chemical match using the InChIKey QKTORDWLHYWRJF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QKTORDWLHYWRJF