trichostatin A

Ligand id: 7005

Name: trichostatin A

Abbreviated name: TSA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 69.64
Molecular weight 302.16
XLogP 2.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
Database Links
CAS Registry No. 58880-19-6
ChEMBL Ligand CHEMBL99
DrugBank Ligand DB04297
PubChem CID 444732
RCSB PDB Ligand TSN
Search Google for chemical match using the InChIKey RTKIYFITIVXBLE-QEQCGCAPSA-N
Search Google for chemicals with the same backbone RTKIYFITIVXBLE
Search UniChem for chemical match using the InChIKey RTKIYFITIVXBLE-QEQCGCAPSA-N
Search UniChem for chemicals with the same backbone RTKIYFITIVXBLE
SynPHARM 79159 (in complex with histone deacetylase 6)
79163 (in complex with histone deacetylase 8)
Wikipedia Trichostatin_A
Comments
Trichostatin A Inhibits Class I and II histone deacetylases (HDACs), but NOT the Class III HDACs (sirtuins (SIRTs) 1-7), so is therefore a useful probe of histone deacetylase activity. HDAC1 has been tagged as the drug's primary target for data retrieval purposes only and in no way infers that this is the only target of this drug.