compound 16 [PMID: 20947351]

Ligand id: 7057

Name: compound 16 [PMID: 20947351]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 116.76
Molecular weight 371.24
XLogP 2.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl N-[(2S)-1-(cyclopentylamino)-8-(hydroxyamino)-1,8-dioxooctan-2-yl]carbamate
Database Links
ChEMBL Ligand CHEMBL1289931
PubChem CID 50908800
Search Google for chemical match using the InChIKey YKINZQJOQFMNPU-AWEZNQCLSA-N
Search Google for chemicals with the same backbone YKINZQJOQFMNPU
Search UniChem for chemical match using the InChIKey YKINZQJOQFMNPU-AWEZNQCLSA-N
Search UniChem for chemicals with the same backbone YKINZQJOQFMNPU
Comments
This compound is a selective HDAC6 inhibitor, and is approximately 55 times more selective for HDAC6 compared to HDAC1 [1].